BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 50803938 CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1 DNXKACKCTLURQN-ACJLOTCBSA-N 50255479 CHEMBL4067429 C-X-C chemokine receptor type 6 >10000 ChEMBL 10.1021/acs.jmedchem.7b01854 10.7270/Q2959M1F 29406702 Lu, H; Yang, T; Xu, Z; Lin, X; Ding, Q; Zhang, Y; Cai, X; Dong, K; Gong, S; Zhang, W; Patel, M; Copley, RCB; Xiang, J; Guan, X; Wren, P; Ren, F GSK Pharmaceuticals R & D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255479&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 100951623 402360319 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 50804302 CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1 DNXKACKCTLURQN-ACJLOTCBSA-N 50255479 CHEMBL4067429 C-X-C chemokine receptor type 6 >10000 ChEMBL 10.1021/acs.jmedchem.7b01854 10.7270/Q2959M1F 29406702 Lu, H; Yang, T; Xu, Z; Lin, X; Ding, Q; Zhang, Y; Cai, X; Dong, K; Gong, S; Zhang, W; Patel, M; Copley, RCB; Xiang, J; Guan, X; Wren, P; Ren, F GSK Pharmaceuticals R & D http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255479&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 100951623 402360319 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332565 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1 InChI=1S/C26H33N3O5/c1-32-22-12-17(13-23(33-2)25(22)34-3)26(31)28-19-14-20-10-7-11-21(15-19)29(20)16-24(30)27-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-21H,7,10-11,14-16H2,1-3H3,(H,27,30)(H,28,31)/t19-,20-,21+ GBPZEGDRVCGMTG-MZADTFQBSA-N 50539423 CHEMBL4648327 C-X-C chemokine receptor type 6 5800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539423&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 25303824 442140986 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332566 COc1cc(cc(OC)c1OC)C(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1 InChI=1S/C26H33N3O5/c1-32-22-12-17(13-23(33-2)25(22)34-3)26(31)28-19-14-20-10-7-11-21(15-19)29(20)16-24(30)27-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-21H,7,10-11,14-16H2,1-3H3,(H,27,30)(H,28,31)/t19-,20+,21- GBPZEGDRVCGMTG-WKCHPHFGSA-N 50539424 CHEMBL4638193 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539424&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 25303824 442140987 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332567 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccccc1 InChI=1S/C25H31N3O5/c1-31-21-11-16(12-22(32-2)24(21)33-3)25(30)27-18-13-19-9-10-20(14-18)28(19)15-23(29)26-17-7-5-4-6-8-17/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3,(H,26,29)(H,27,30)/t18-,19-,20+ HKKGFCHIHPHJLM-OWZKRDHZSA-N 50539425 CHEMBL4649148 C-X-C chemokine receptor type 6 >26000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539425&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 71768227 442140988 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332568 COc1cc(cc(OC)c1OC)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 InChI=1S/C23H29N3O5/c1-29-19-13-16(14-20(30-2)22(19)31-3)23(28)25-18-9-11-26(12-10-18)15-21(27)24-17-7-5-4-6-8-17/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,24,27)(H,25,28) FTBXDXCAKCYHJU-UHFFFAOYSA-N 50539426 CHEMBL4645840 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539426&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 16589809 442140989 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332569 O=C(CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1ccccc1)Nc1ccccc1 InChI=1S/C23H27N3O2/c27-22(24-18-10-5-2-6-11-18)16-26-20-12-7-13-21(26)15-19(14-20)25-23(28)17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16H2,(H,24,27)(H,25,28)/t19-,20-,21+ JGMHDOYMMADCTL-MZADTFQBSA-N 50539427 CHEMBL4636979 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539427&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 1463051 442140990 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332570 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(F)cc1 InChI=1S/C26H32FN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)29-19-13-20-5-4-6-21(14-19)30(20)15-24(31)28-18-9-7-17(27)8-10-18/h7-12,19-21H,4-6,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ ZZVJXULAXIUEGR-MZADTFQBSA-N 50539428 CHEMBL4642662 C-X-C chemokine receptor type 6 5800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539428&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016810 442140991 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332571 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)29-19-13-20-5-4-6-21(14-19)30(20)15-24(31)28-18-9-7-17(27)8-10-18/h7-12,19-21H,4-6,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ JPTBPKYULKDEBD-MZADTFQBSA-N 50539429 CHEMBL4638791 C-X-C chemokine receptor type 6 1500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539429&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012910 442140992 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332572 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(C)cc1 InChI=1S/C27H35N3O5/c1-17-8-10-19(11-9-17)28-25(31)16-30-21-6-5-7-22(30)15-20(14-21)29-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h8-13,20-22H,5-7,14-16H2,1-4H3,(H,28,31)(H,29,32)/t20-,21-,22+ BZSNUGWDIOXXKE-DKUWSORSSA-N 50539430 CHEMBL4648749 C-X-C chemokine receptor type 6 9500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539430&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156021218 442140993 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332573 COc1ccc(NC(=O)CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 InChI=1S/C27H35N3O6/c1-33-22-10-8-18(9-11-22)28-25(31)16-30-20-6-5-7-21(30)15-19(14-20)29-27(32)17-12-23(34-2)26(36-4)24(13-17)35-3/h8-13,19-21H,5-7,14-16H2,1-4H3,(H,28,31)(H,29,32)/t19-,20-,21+ OHGNYEANIDSCBZ-MZADTFQBSA-N 50539431 CHEMBL4644339 C-X-C chemokine receptor type 6 19000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539431&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 71768225 442140994 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332574 COc1ccc(cc1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C25H30ClN3O4/c1-32-22-11-6-16(12-23(22)33-2)25(31)28-19-13-20-4-3-5-21(14-19)29(20)15-24(30)27-18-9-7-17(26)8-10-18/h6-12,19-21H,3-5,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20-,21+ QXGBJJBYBGQCBO-MZADTFQBSA-N 50539432 CHEMBL4643689 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539432&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156017789 442140995 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332575 COc1cc(OC)cc(c1)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C25H30ClN3O4/c1-32-22-10-16(11-23(14-22)33-2)25(31)28-19-12-20-4-3-5-21(13-19)29(20)15-24(30)27-18-8-6-17(26)7-9-18/h6-11,14,19-21H,3-5,12-13,15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20-,21+ WEKBLDZYQSQSGL-MZADTFQBSA-N 50539433 CHEMBL4647997 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539433&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 71768226 442140996 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332576 COc1cccc(c1)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C24H28ClN3O3/c1-31-22-7-2-4-16(12-22)24(30)27-19-13-20-5-3-6-21(14-19)28(20)15-23(29)26-18-10-8-17(25)9-11-18/h2,4,7-12,19-21H,3,5-6,13-15H2,1H3,(H,26,29)(H,27,30)/t19-,20-,21+ WGCZLDYCWKIVKK-MZADTFQBSA-N 50539434 CHEMBL4645725 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539434&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019927 442140997 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332577 COc1ccc(cc1)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C24H28ClN3O3/c1-31-22-11-5-16(6-12-22)24(30)27-19-13-20-3-2-4-21(14-19)28(20)15-23(29)26-18-9-7-17(25)8-10-18/h5-12,19-21H,2-4,13-15H2,1H3,(H,26,29)(H,27,30)/t19-,20-,21+ QVDHBDSWLBMPJT-MZADTFQBSA-N 50539435 CHEMBL4645432 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539435&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019124 442140998 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332578 Clc1ccc(NC(=O)CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2ccc3OCOc3c2)cc1 InChI=1S/C24H26ClN3O4/c25-16-5-7-17(8-6-16)26-23(29)13-28-19-2-1-3-20(28)12-18(11-19)27-24(30)15-4-9-21-22(10-15)32-14-31-21/h4-10,18-20H,1-3,11-14H2,(H,26,29)(H,27,30)/t18-,19-,20+ SBZMQCURHLRERG-OWZKRDHZSA-N 50539436 CHEMBL4644085 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539436&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156017591 442140999 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332579 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1F InChI=1S/C26H32FN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+ WNVRTMGRXBPZGW-LDLYASANSA-N 50539437 CHEMBL4644133 C-X-C chemokine receptor type 6 620 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539437&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156018089 442141000 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332580 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1C InChI=1S/C27H35N3O5/c1-17-8-5-6-11-22(17)29-25(31)16-30-20-9-7-10-21(30)15-19(14-20)28-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h5-6,8,11-13,19-21H,7,9-10,14-16H2,1-4H3,(H,28,32)(H,29,31)/t19-,20-,21+ GCSXWQQSFNSSSR-MZADTFQBSA-N 50539438 CHEMBL4640657 C-X-C chemokine receptor type 6 790 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539438&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014947 442141001 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332581 COc1ccccc1NC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(OC)c(OC)c(OC)c1 InChI=1S/C27H35N3O6/c1-33-22-11-6-5-10-21(22)29-25(31)16-30-19-8-7-9-20(30)15-18(14-19)28-27(32)17-12-23(34-2)26(36-4)24(13-17)35-3/h5-6,10-13,18-20H,7-9,14-16H2,1-4H3,(H,28,32)(H,29,31)/t18-,19-,20+ CTHJPSUBSCTMHA-OWZKRDHZSA-N 50539439 CHEMBL4646463 C-X-C chemokine receptor type 6 2100 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539439&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019169 442141002 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332582 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1Br InChI=1S/C26H32BrN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+ AADMHMQHAHPDLZ-LDLYASANSA-N 50539440 CHEMBL4640388 C-X-C chemokine receptor type 6 160 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539440&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156015439 442141003 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332583 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1C(F)(F)F InChI=1S/C27H32F3N3O5/c1-36-22-11-16(12-23(37-2)25(22)38-3)26(35)31-17-13-18-7-6-8-19(14-17)33(18)15-24(34)32-21-10-5-4-9-20(21)27(28,29)30/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,31,35)(H,32,34)/t17-,18-,19+ OBQKGMBQQRJSKJ-LDLYASANSA-N 50539441 CHEMBL4639996 C-X-C chemokine receptor type 6 640 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539441&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156015077 442141004 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332584 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1C#N InChI=1S/C27H32N4O5/c1-34-23-11-18(12-24(35-2)26(23)36-3)27(33)29-19-13-20-8-6-9-21(14-19)31(20)16-25(32)30-22-10-5-4-7-17(22)15-28/h4-5,7,10-12,19-21H,6,8-9,13-14,16H2,1-3H3,(H,29,33)(H,30,32)/t19-,20-,21+ YEWXRFCHVUTIND-MZADTFQBSA-N 50539442 CHEMBL4632989 C-X-C chemokine receptor type 6 930 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539442&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156010068 442141005 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332585 CCOC(=O)c1ccccc1NC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(OC)c(OC)c(OC)c1 InChI=1S/C29H37N3O7/c1-5-39-29(35)22-11-6-7-12-23(22)31-26(33)17-32-20-9-8-10-21(32)16-19(15-20)30-28(34)18-13-24(36-2)27(38-4)25(14-18)37-3/h6-7,11-14,19-21H,5,8-10,15-17H2,1-4H3,(H,30,34)(H,31,33)/t19-,20-,21+ JFBAIKDPLVOGNT-MZADTFQBSA-N 50539443 CHEMBL4645361 C-X-C chemokine receptor type 6 1600 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539443&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156018738 442141006 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332586 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(F)c1 InChI=1S/C26H32FN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ SDPVIFRJWCOAKV-MZADTFQBSA-N 50539444 CHEMBL4640101 C-X-C chemokine receptor type 6 840 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539444&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156015991 442141007 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332587 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(Cl)c1 InChI=1S/C26H32ClN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ LJOBASSHFJDCFT-MZADTFQBSA-N 50539445 CHEMBL4635707 C-X-C chemokine receptor type 6 410 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539445&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014652 442141008 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332588 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(Br)c1 InChI=1S/C26H32BrN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ CUXPWEABTKVJSK-MZADTFQBSA-N 50539446 CHEMBL4645763 C-X-C chemokine receptor type 6 350 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539446&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019204 442141009 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332589 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(C)c1 InChI=1S/C27H35N3O5/c1-17-7-5-8-19(11-17)28-25(31)16-30-21-9-6-10-22(30)15-20(14-21)29-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h5,7-8,11-13,20-22H,6,9-10,14-16H2,1-4H3,(H,28,31)(H,29,32)/t20-,21-,22+ KIYLFIBQEKHGBK-DKUWSORSSA-N 50539447 CHEMBL4648121 C-X-C chemokine receptor type 6 1800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539447&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156020735 442141010 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332590 COc1cccc(NC(=O)CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 InChI=1S/C27H35N3O6/c1-33-22-10-5-7-18(15-22)28-25(31)16-30-20-8-6-9-21(30)14-19(13-20)29-27(32)17-11-23(34-2)26(36-4)24(12-17)35-3/h5,7,10-12,15,19-21H,6,8-9,13-14,16H2,1-4H3,(H,28,31)(H,29,32)/t19-,20-,21+ VWUVDDBTGUXEOG-MZADTFQBSA-N 50539448 CHEMBL4640301 C-X-C chemokine receptor type 6 5800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539448&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014926 442141011 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332591 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl InChI=1S/C26H31Cl2N3O5/c1-34-21-10-15(11-22(35-2)25(21)36-3)26(33)29-16-12-17-6-4-7-18(13-16)31(17)14-23(32)30-20-9-5-8-19(27)24(20)28/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,29,33)(H,30,32)/t16-,17-,18+ PQBVGIBQQRMLNL-NNZMDNLPSA-N 50539449 CHEMBL4647701 C-X-C chemokine receptor type 6 120 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539449&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156020287 442141012 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332592 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1Cl InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)29-17-12-18-5-4-6-19(13-17)31(18)14-24(32)30-21-8-7-16(27)11-20(21)28/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,29,33)(H,30,32)/t17-,18-,19+ KGALHZAKVBFVKT-LDLYASANSA-N 50539450 CHEMBL4648997 C-X-C chemokine receptor type 6 160 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539450&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156020329 442141013 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332593 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cc(Cl)ccc1Cl InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)29-17-12-18-5-4-6-19(13-17)31(18)14-24(32)30-21-11-16(27)7-8-20(21)28/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,29,33)(H,30,32)/t17-,18-,19+ SFSFYCBCVSQIDZ-LDLYASANSA-N 50539451 CHEMBL4646569 C-X-C chemokine receptor type 6 130 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539451&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019654 442141014 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332594 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1c(Cl)cccc1Cl InChI=1S/C26H31Cl2N3O5/c1-34-21-10-15(11-22(35-2)25(21)36-3)26(33)29-16-12-17-6-4-7-18(13-16)31(17)14-23(32)30-24-19(27)8-5-9-20(24)28/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,29,33)(H,30,32)/t16-,17-,18+ JSLIPMNVBDSXEB-NNZMDNLPSA-N 50539452 CHEMBL4636310 C-X-C chemokine receptor type 6 38200 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539452&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156013800 442141015 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332595 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)c(Cl)c1 InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)30-17-11-18-5-4-6-19(12-17)31(18)14-24(32)29-16-7-8-20(27)21(28)13-16/h7-10,13,17-19H,4-6,11-12,14H2,1-3H3,(H,29,32)(H,30,33)/t17-,18-,19+ RLGNPLGINDBIHW-LDLYASANSA-N 50539453 CHEMBL4649351 C-X-C chemokine receptor type 6 350 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539453&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156021922 442141016 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332596 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cc(Cl)cc(Cl)c1 InChI=1S/C26H31Cl2N3O5/c1-34-22-7-15(8-23(35-2)25(22)36-3)26(33)30-19-12-20-5-4-6-21(13-19)31(20)14-24(32)29-18-10-16(27)9-17(28)11-18/h7-11,19-21H,4-6,12-14H2,1-3H3,(H,29,32)(H,30,33)/t19-,20-,21+ XKMIPOJNXNMRIR-MZADTFQBSA-N 50539454 CHEMBL4647206 C-X-C chemokine receptor type 6 310 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539454&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156021011 442141017 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332597 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cc(C)ccc1C InChI=1S/C28H37N3O5/c1-17-9-10-18(2)23(11-17)30-26(32)16-31-21-7-6-8-22(31)15-20(14-21)29-28(33)19-12-24(34-3)27(36-5)25(13-19)35-4/h9-13,20-22H,6-8,14-16H2,1-5H3,(H,29,33)(H,30,32)/t20-,21-,22+ JDQHNZWJEMDJDN-DKUWSORSSA-N 50539455 CHEMBL4639114 C-X-C chemokine receptor type 6 610 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539455&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156013415 442141018 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332598 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1c(C)cccc1C InChI=1S/C28H37N3O5/c1-17-8-6-9-18(2)26(17)30-25(32)16-31-21-10-7-11-22(31)15-20(14-21)29-28(33)19-12-23(34-3)27(36-5)24(13-19)35-4/h6,8-9,12-13,20-22H,7,10-11,14-16H2,1-5H3,(H,29,33)(H,30,32)/t20-,21-,22+ QZBHXFNBZRKHRI-DKUWSORSSA-N 50539456 CHEMBL4638343 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539456&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012364 442141019 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332599 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1 InChI=1S/C26H33N3O5/c1-32-22-12-17(13-23(33-2)25(22)34-3)26(31)28-19-14-20-10-7-11-21(15-19)29(20)16-24(30)27-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-21H,7,10-11,14-16H2,1-3H3,(H,27,30)(H,28,31)/t19-,20-,21+ GBPZEGDRVCGMTG-MZADTFQBSA-N 50539423 CHEMBL4648327 C-X-C chemokine receptor type 6 30600 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539423&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 25303824 442140986 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332600 COc1cc(cc(OC)c1OC)C(=O)N[C@@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1 InChI=1S/C26H33N3O5/c1-32-22-12-17(13-23(33-2)25(22)34-3)26(31)28-19-14-20-10-7-11-21(15-19)29(20)16-24(30)27-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-21H,7,10-11,14-16H2,1-3H3,(H,27,30)(H,28,31)/t19-,20+,21- GBPZEGDRVCGMTG-WKCHPHFGSA-N 50539424 CHEMBL4638193 C-X-C chemokine receptor type 6 40900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539424 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539424&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 25303824 442140987 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332601 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccccc1 InChI=1S/C25H31N3O5/c1-31-21-11-16(12-22(32-2)24(21)33-3)25(30)27-18-13-19-9-10-20(14-18)28(19)15-23(29)26-17-7-5-4-6-8-17/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3,(H,26,29)(H,27,30)/t18-,19-,20+ HKKGFCHIHPHJLM-OWZKRDHZSA-N 50539425 CHEMBL4649148 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539425 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539425&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 71768227 442140988 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332602 COc1cc(cc(OC)c1OC)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 InChI=1S/C23H29N3O5/c1-29-19-13-16(14-20(30-2)22(19)31-3)23(28)25-18-9-11-26(12-10-18)15-21(27)24-17-7-5-4-6-8-17/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,24,27)(H,25,28) FTBXDXCAKCYHJU-UHFFFAOYSA-N 50539426 CHEMBL4645840 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539426 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539426&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 16589809 442140989 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332603 O=C(CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1ccccc1)Nc1ccccc1 InChI=1S/C23H27N3O2/c27-22(24-18-10-5-2-6-11-18)16-26-20-12-7-13-21(26)15-19(14-20)25-23(28)17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16H2,(H,24,27)(H,25,28)/t19-,20-,21+ JGMHDOYMMADCTL-MZADTFQBSA-N 50539427 CHEMBL4636979 C-X-C chemokine receptor type 6 >80000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539427 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539427&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 1463051 442140990 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332604 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(F)cc1 InChI=1S/C26H32FN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)29-19-13-20-5-4-6-21(14-19)30(20)15-24(31)28-18-9-7-17(27)8-10-18/h7-12,19-21H,4-6,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ ZZVJXULAXIUEGR-MZADTFQBSA-N 50539428 CHEMBL4642662 C-X-C chemokine receptor type 6 30700 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539428 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539428&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016810 442140991 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332605 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)29-19-13-20-5-4-6-21(14-19)30(20)15-24(31)28-18-9-7-17(27)8-10-18/h7-12,19-21H,4-6,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ JPTBPKYULKDEBD-MZADTFQBSA-N 50539429 CHEMBL4638791 C-X-C chemokine receptor type 6 14200 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539429 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539429&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012910 442140992 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332606 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(C)cc1 InChI=1S/C27H35N3O5/c1-17-8-10-19(11-9-17)28-25(31)16-30-21-6-5-7-22(30)15-20(14-21)29-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h8-13,20-22H,5-7,14-16H2,1-4H3,(H,28,31)(H,29,32)/t20-,21-,22+ BZSNUGWDIOXXKE-DKUWSORSSA-N 50539430 CHEMBL4648749 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539430 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539430&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156021218 442140993 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332607 COc1ccc(NC(=O)CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 InChI=1S/C27H35N3O6/c1-33-22-10-8-18(9-11-22)28-25(31)16-30-20-6-5-7-21(30)15-19(14-20)29-27(32)17-12-23(34-2)26(36-4)24(13-17)35-3/h8-13,19-21H,5-7,14-16H2,1-4H3,(H,28,31)(H,29,32)/t19-,20-,21+ OHGNYEANIDSCBZ-MZADTFQBSA-N 50539431 CHEMBL4644339 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539431&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 71768225 442140994 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332608 COc1ccc(cc1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C25H30ClN3O4/c1-32-22-11-6-16(12-23(22)33-2)25(31)28-19-13-20-4-3-5-21(14-19)29(20)15-24(30)27-18-9-7-17(26)8-10-18/h6-12,19-21H,3-5,13-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20-,21+ QXGBJJBYBGQCBO-MZADTFQBSA-N 50539432 CHEMBL4643689 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539432&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156017789 442140995 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332609 COc1cc(OC)cc(c1)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C25H30ClN3O4/c1-32-22-10-16(11-23(14-22)33-2)25(31)28-19-12-20-4-3-5-21(13-19)29(20)15-24(30)27-18-8-6-17(26)7-9-18/h6-11,14,19-21H,3-5,12-13,15H2,1-2H3,(H,27,30)(H,28,31)/t19-,20-,21+ WEKBLDZYQSQSGL-MZADTFQBSA-N 50539433 CHEMBL4647997 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539433&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 71768226 442140996 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332610 COc1cccc(c1)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C24H28ClN3O3/c1-31-22-7-2-4-16(12-22)24(30)27-19-13-20-5-3-6-21(14-19)28(20)15-23(29)26-18-10-8-17(25)9-11-18/h2,4,7-12,19-21H,3,5-6,13-15H2,1H3,(H,26,29)(H,27,30)/t19-,20-,21+ WGCZLDYCWKIVKK-MZADTFQBSA-N 50539434 CHEMBL4645725 C-X-C chemokine receptor type 6 14500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539434&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019927 442140997 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332611 COc1ccc(cc1)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1 InChI=1S/C24H28ClN3O3/c1-31-22-11-5-16(6-12-22)24(30)27-19-13-20-3-2-4-21(14-19)28(20)15-23(29)26-18-9-7-17(25)8-10-18/h5-12,19-21H,2-4,13-15H2,1H3,(H,26,29)(H,27,30)/t19-,20-,21+ QVDHBDSWLBMPJT-MZADTFQBSA-N 50539435 CHEMBL4645432 C-X-C chemokine receptor type 6 5900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539435 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539435&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019124 442140998 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332612 Clc1ccc(NC(=O)CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2ccc3OCOc3c2)cc1 InChI=1S/C24H26ClN3O4/c25-16-5-7-17(8-6-16)26-23(29)13-28-19-2-1-3-20(28)12-18(11-19)27-24(30)15-4-9-21-22(10-15)32-14-31-21/h4-10,18-20H,1-3,11-14H2,(H,26,29)(H,27,30)/t18-,19-,20+ SBZMQCURHLRERG-OWZKRDHZSA-N 50539436 CHEMBL4644085 C-X-C chemokine receptor type 6 5300 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539436&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156017591 442140999 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332613 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1F InChI=1S/C26H32FN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+ WNVRTMGRXBPZGW-LDLYASANSA-N 50539437 CHEMBL4644133 C-X-C chemokine receptor type 6 6500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539437 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539437&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156018089 442141000 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332614 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1Cl InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+ SSPYAPRDKNCABY-LDLYASANSA-N 50539457 CHEMBL4645971 C-X-C chemokine receptor type 6 1400 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539457&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 71768224 442141020 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332615 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1C InChI=1S/C27H35N3O5/c1-17-8-5-6-11-22(17)29-25(31)16-30-20-9-7-10-21(30)15-19(14-20)28-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h5-6,8,11-13,19-21H,7,9-10,14-16H2,1-4H3,(H,28,32)(H,29,31)/t19-,20-,21+ GCSXWQQSFNSSSR-MZADTFQBSA-N 50539438 CHEMBL4640657 C-X-C chemokine receptor type 6 9300 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539438 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539438&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014947 442141001 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332616 COc1ccccc1NC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(OC)c(OC)c(OC)c1 InChI=1S/C27H35N3O6/c1-33-22-11-6-5-10-21(22)29-25(31)16-30-19-8-7-9-20(30)15-18(14-19)28-27(32)17-12-23(34-2)26(36-4)24(13-17)35-3/h5-6,10-13,18-20H,7-9,14-16H2,1-4H3,(H,28,32)(H,29,31)/t18-,19-,20+ CTHJPSUBSCTMHA-OWZKRDHZSA-N 50539439 CHEMBL4646463 C-X-C chemokine receptor type 6 14700 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539439 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539439&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019169 442141002 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332617 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1Br InChI=1S/C26H32BrN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+ AADMHMQHAHPDLZ-LDLYASANSA-N 50539440 CHEMBL4640388 C-X-C chemokine receptor type 6 900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539440&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156015439 442141003 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332618 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1C(F)(F)F InChI=1S/C27H32F3N3O5/c1-36-22-11-16(12-23(37-2)25(22)38-3)26(35)31-17-13-18-7-6-8-19(14-17)33(18)15-24(34)32-21-10-5-4-9-20(21)27(28,29)30/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,31,35)(H,32,34)/t17-,18-,19+ OBQKGMBQQRJSKJ-LDLYASANSA-N 50539441 CHEMBL4639996 C-X-C chemokine receptor type 6 7900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539441 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539441&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156015077 442141004 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332619 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1C#N InChI=1S/C27H32N4O5/c1-34-23-11-18(12-24(35-2)26(23)36-3)27(33)29-19-13-20-8-6-9-21(14-19)31(20)16-25(32)30-22-10-5-4-7-17(22)15-28/h4-5,7,10-12,19-21H,6,8-9,13-14,16H2,1-3H3,(H,29,33)(H,30,32)/t19-,20-,21+ YEWXRFCHVUTIND-MZADTFQBSA-N 50539442 CHEMBL4632989 C-X-C chemokine receptor type 6 7000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539442 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539442&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156010068 442141005 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332620 CCOC(=O)c1ccccc1NC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(OC)c(OC)c(OC)c1 InChI=1S/C29H37N3O7/c1-5-39-29(35)22-11-6-7-12-23(22)31-26(33)17-32-20-9-8-10-21(32)16-19(15-20)30-28(34)18-13-24(36-2)27(38-4)25(14-18)37-3/h6-7,11-14,19-21H,5,8-10,15-17H2,1-4H3,(H,30,34)(H,31,33)/t19-,20-,21+ JFBAIKDPLVOGNT-MZADTFQBSA-N 50539443 CHEMBL4645361 C-X-C chemokine receptor type 6 6900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539443 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539443&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156018738 442141006 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332621 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(F)c1 InChI=1S/C26H32FN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ SDPVIFRJWCOAKV-MZADTFQBSA-N 50539444 CHEMBL4640101 C-X-C chemokine receptor type 6 8500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539444&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156015991 442141007 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332622 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(Cl)c1 InChI=1S/C26H32ClN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ LJOBASSHFJDCFT-MZADTFQBSA-N 50539445 CHEMBL4635707 C-X-C chemokine receptor type 6 4300 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539445&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014652 442141008 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332623 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(Br)c1 InChI=1S/C26H32BrN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+ CUXPWEABTKVJSK-MZADTFQBSA-N 50539446 CHEMBL4645763 C-X-C chemokine receptor type 6 3800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539446&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019204 442141009 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332624 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(C)c1 InChI=1S/C27H35N3O5/c1-17-7-5-8-19(11-17)28-25(31)16-30-21-9-6-10-22(30)15-20(14-21)29-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h5,7-8,11-13,20-22H,6,9-10,14-16H2,1-4H3,(H,28,31)(H,29,32)/t20-,21-,22+ KIYLFIBQEKHGBK-DKUWSORSSA-N 50539447 CHEMBL4648121 C-X-C chemokine receptor type 6 17900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539447&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156020735 442141010 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332625 COc1cccc(NC(=O)CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 InChI=1S/C27H35N3O6/c1-33-22-10-5-7-18(15-22)28-25(31)16-30-20-8-6-9-21(30)14-19(13-20)29-27(32)17-11-23(34-2)26(36-4)24(12-17)35-3/h5,7,10-12,15,19-21H,6,8-9,13-14,16H2,1-4H3,(H,28,31)(H,29,32)/t19-,20-,21+ VWUVDDBTGUXEOG-MZADTFQBSA-N 50539448 CHEMBL4640301 C-X-C chemokine receptor type 6 51000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539448&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014926 442141011 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332626 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl InChI=1S/C26H31Cl2N3O5/c1-34-21-10-15(11-22(35-2)25(21)36-3)26(33)29-16-12-17-6-4-7-18(13-16)31(17)14-23(32)30-20-9-5-8-19(27)24(20)28/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,29,33)(H,30,32)/t16-,17-,18+ PQBVGIBQQRMLNL-NNZMDNLPSA-N 50539449 CHEMBL4647701 C-X-C chemokine receptor type 6 410 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539449&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156020287 442141012 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332627 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1Cl InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)29-17-12-18-5-4-6-19(13-17)31(18)14-24(32)30-21-8-7-16(27)11-20(21)28/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,29,33)(H,30,32)/t17-,18-,19+ KGALHZAKVBFVKT-LDLYASANSA-N 50539450 CHEMBL4648997 C-X-C chemokine receptor type 6 900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539450&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156020329 442141013 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332628 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cc(Cl)ccc1Cl InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)29-17-12-18-5-4-6-19(13-17)31(18)14-24(32)30-21-11-16(27)7-8-20(21)28/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,29,33)(H,30,32)/t17-,18-,19+ SFSFYCBCVSQIDZ-LDLYASANSA-N 50539451 CHEMBL4646569 C-X-C chemokine receptor type 6 700 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539451&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019654 442141014 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332629 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1c(Cl)cccc1Cl InChI=1S/C26H31Cl2N3O5/c1-34-21-10-15(11-22(35-2)25(21)36-3)26(33)29-16-12-17-6-4-7-18(13-16)31(17)14-23(32)30-24-19(27)8-5-9-20(24)28/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,29,33)(H,30,32)/t16-,17-,18+ JSLIPMNVBDSXEB-NNZMDNLPSA-N 50539452 CHEMBL4636310 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539452&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156013800 442141015 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332630 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccc(Cl)c(Cl)c1 InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)30-17-11-18-5-4-6-19(12-17)31(18)14-24(32)29-16-7-8-20(27)21(28)13-16/h7-10,13,17-19H,4-6,11-12,14H2,1-3H3,(H,29,32)(H,30,33)/t17-,18-,19+ RLGNPLGINDBIHW-LDLYASANSA-N 50539453 CHEMBL4649351 C-X-C chemokine receptor type 6 1800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539453 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539453&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156021922 442141016 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332631 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cc(Cl)cc(Cl)c1 InChI=1S/C26H31Cl2N3O5/c1-34-22-7-15(8-23(35-2)25(22)36-3)26(33)30-19-12-20-5-4-6-21(13-19)31(20)14-24(32)29-18-10-16(27)9-17(28)11-18/h7-11,19-21H,4-6,12-14H2,1-3H3,(H,29,32)(H,30,33)/t19-,20-,21+ XKMIPOJNXNMRIR-MZADTFQBSA-N 50539454 CHEMBL4647206 C-X-C chemokine receptor type 6 1300 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539454 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539454&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156021011 442141017 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332632 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1cc(C)ccc1C InChI=1S/C28H37N3O5/c1-17-9-10-18(2)23(11-17)30-26(32)16-31-21-7-6-8-22(31)15-20(14-21)29-28(33)19-12-24(34-3)27(36-5)25(13-19)35-4/h9-13,20-22H,6-8,14-16H2,1-5H3,(H,29,33)(H,30,32)/t20-,21-,22+ JDQHNZWJEMDJDN-DKUWSORSSA-N 50539455 CHEMBL4639114 C-X-C chemokine receptor type 6 16500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539455 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539455&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156013415 442141018 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332633 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1c(C)cccc1C InChI=1S/C28H37N3O5/c1-17-8-6-9-18(2)26(17)30-25(32)16-31-21-10-7-11-22(31)15-20(14-21)29-28(33)19-12-23(34-3)27(36-5)24(13-19)35-4/h6,8-9,12-13,20-22H,7,10-11,14-16H2,1-5H3,(H,29,33)(H,30,32)/t20-,21-,22+ QZBHXFNBZRKHRI-DKUWSORSSA-N 50539456 CHEMBL4638343 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539456 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539456&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012364 442141019 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332637 COc1ccccc1CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(OC)c(OC)c(OC)c1 InChI=1S/C26H34N2O5/c1-30-22-11-6-5-8-17(22)16-28-20-9-7-10-21(28)15-19(14-20)27-26(29)18-12-23(31-2)25(33-4)24(13-18)32-3/h5-6,8,11-13,19-21H,7,9-10,14-16H2,1-4H3,(H,27,29)/t19-,20-,21+ NKNVQTJFJKZPQJ-MZADTFQBSA-N 50539458 CHEMBL4642331 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539458&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016933 442141021 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332638 COc1cccc(CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 InChI=1S/C26H34N2O5/c1-30-22-10-5-7-17(11-22)16-28-20-8-6-9-21(28)15-19(14-20)27-26(29)18-12-23(31-2)25(33-4)24(13-18)32-3/h5,7,10-13,19-21H,6,8-9,14-16H2,1-4H3,(H,27,29)/t19-,20-,21+ FEQSAQSUWCJNBF-MZADTFQBSA-N 50539459 CHEMBL4635563 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539459&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014556 442141022 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332639 COc1ccc(CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 InChI=1S/C26H34N2O5/c1-30-22-10-8-17(9-11-22)16-28-20-6-5-7-21(28)15-19(14-20)27-26(29)18-12-23(31-2)25(33-4)24(13-18)32-3/h8-13,19-21H,5-7,14-16H2,1-4H3,(H,27,29)/t19-,20-,21+ DCBRWARWIDLMFD-MZADTFQBSA-N 50539460 CHEMBL4649098 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539460&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156021341 442141023 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332640 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1Cl InChI=1S/C25H31ClN2O4/c1-30-22-11-17(12-23(31-2)24(22)32-3)25(29)27-18-13-19-8-6-9-20(14-18)28(19)15-16-7-4-5-10-21(16)26/h4-5,7,10-12,18-20H,6,8-9,13-15H2,1-3H3,(H,27,29)/t18-,19-,20+ LSWOWMVINVLOQV-OWZKRDHZSA-N 50539461 CHEMBL4633217 C-X-C chemokine receptor type 6 6800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539461&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156011084 442141024 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332641 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cccc(Cl)c1 InChI=1S/C25H31ClN2O4/c1-30-22-11-17(12-23(31-2)24(22)32-3)25(29)27-19-13-20-8-5-9-21(14-19)28(20)15-16-6-4-7-18(26)10-16/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,27,29)/t19-,20-,21+ WVSXVAOIINMPPV-MZADTFQBSA-N 50539462 CHEMBL4641144 C-X-C chemokine receptor type 6 9500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539462&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016038 442141025 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332642 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(Cl)cc1 InChI=1S/C25H31ClN2O4/c1-30-22-11-17(12-23(31-2)24(22)32-3)25(29)27-19-13-20-5-4-6-21(14-19)28(20)15-16-7-9-18(26)10-8-16/h7-12,19-21H,4-6,13-15H2,1-3H3,(H,27,29)/t19-,20-,21+ BCMJACCJDMVBOI-MZADTFQBSA-N 50539463 CHEMBL4644405 C-X-C chemokine receptor type 6 23700 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539463&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156018695 442141026 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332643 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc2ccccc2c1 InChI=1S/C29H34N2O4/c1-33-26-14-22(15-27(34-2)28(26)35-3)29(32)30-23-16-24-9-6-10-25(17-23)31(24)18-19-11-12-20-7-4-5-8-21(20)13-19/h4-5,7-8,11-15,23-25H,6,9-10,16-18H2,1-3H3,(H,30,32)/t23-,24-,25+ PUIFEAQLHNIDGH-MPIKPJSNSA-N 50539464 CHEMBL4637473 C-X-C chemokine receptor type 6 3400 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539464&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012554 442141027 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332644 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc2ccccc2n1 InChI=1S/C28H33N3O4/c1-33-25-13-19(14-26(34-2)27(25)35-3)28(32)30-21-15-22-8-6-9-23(16-21)31(22)17-20-12-11-18-7-4-5-10-24(18)29-20/h4-5,7,10-14,21-23H,6,8-9,15-17H2,1-3H3,(H,30,32)/t21-,22-,23+ NELQODPRBBXPOR-WBDAEOGXSA-N 50539465 CHEMBL4641301 C-X-C chemokine receptor type 6 6700 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539465&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016371 442141028 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332645 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cc2ccccc2[nH]1 50539466 CHEMBL4635792 C-X-C chemokine receptor type 6 23700 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539466&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014218 442141029 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332646 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1c[nH]c2ccccc12 50539467 CHEMBL4645152 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539467&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156018367 442141030 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332647 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cn2ccccc2n1 InChI=1S/C26H32N4O4/c1-32-22-11-17(12-23(33-2)25(22)34-3)26(31)28-18-13-20-7-6-8-21(14-18)30(20)16-19-15-29-10-5-4-9-24(29)27-19/h4-5,9-12,15,18,20-21H,6-8,13-14,16H2,1-3H3,(H,28,31)/t18-,20-,21+ QFNLHHCMQDABJU-ZKTXZKFHSA-N 50539468 CHEMBL4645833 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539468&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019551 442141031 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332648 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cc2ccccc2s1 InChI=1S/C27H32N2O4S/c1-31-23-12-18(13-24(32-2)26(23)33-3)27(30)28-19-14-20-8-6-9-21(15-19)29(20)16-22-11-17-7-4-5-10-25(17)34-22/h4-5,7,10-13,19-21H,6,8-9,14-16H2,1-3H3,(H,28,30)/t19-,20-,21+ FPEARQOZGIFEFZ-MZADTFQBSA-N 50539469 CHEMBL4633183 C-X-C chemokine receptor type 6 900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539469&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156010734 442141032 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332649 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2ccccc2s1 InChI=1S/C26H31N3O4S/c1-31-21-11-16(12-22(32-2)25(21)33-3)26(30)27-17-13-18-7-6-8-19(14-17)29(18)15-24-28-20-9-4-5-10-23(20)34-24/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,27,30)/t17-,18-,19+ OOCZMEOCJAKHAM-LDLYASANSA-N 50539470 CHEMBL4642230 C-X-C chemokine receptor type 6 300 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539470&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156017102 442141033 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332650 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2ccccc2o1 InChI=1S/C26H31N3O5/c1-31-22-11-16(12-23(32-2)25(22)33-3)26(30)27-17-13-18-7-6-8-19(14-17)29(18)15-24-28-20-9-4-5-10-21(20)34-24/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,27,30)/t17-,18-,19+ NXKKCSAWPYGOIN-LDLYASANSA-N 50539471 CHEMBL4642449 C-X-C chemokine receptor type 6 6900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539471&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016540 442141034 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332651 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2ccccc2[nH]1 50539472 CHEMBL4646034 C-X-C chemokine receptor type 6 10500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539472&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019475 442141035 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332652 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CCc1nc2ccccc2s1 InChI=1S/C27H33N3O4S/c1-32-22-13-17(14-23(33-2)26(22)34-3)27(31)28-18-15-19-7-6-8-20(16-18)30(19)12-11-25-29-21-9-4-5-10-24(21)35-25/h4-5,9-10,13-14,18-20H,6-8,11-12,15-16H2,1-3H3,(H,28,31)/t18-,19-,20+ AFTDZOGTGOFYRJ-OWZKRDHZSA-N 50539473 CHEMBL4637775 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539473&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156011905 442141036 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332653 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)c1nc2ccccc2s1 InChI=1S/C27H31N3O5S/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-21(31)27-29-20-9-4-5-10-24(20)36-27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)/t17-,18-,19+ QLWKVOWKYWURTF-LDLYASANSA-N 50539474 CHEMBL4649243 C-X-C chemokine receptor type 6 12700 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539474&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156020779 442141037 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332654 COc1ccccc1CN1[C@H]2CCC[C@@H]1C[C@H](C2)NC(=O)c1cc(OC)c(OC)c(OC)c1 InChI=1S/C26H34N2O5/c1-30-22-11-6-5-8-17(22)16-28-20-9-7-10-21(28)15-19(14-20)27-26(29)18-12-23(31-2)25(33-4)24(13-18)32-3/h5-6,8,11-13,19-21H,7,9-10,14-16H2,1-4H3,(H,27,29)/t19-,20-,21+ NKNVQTJFJKZPQJ-MZADTFQBSA-N 50539458 CHEMBL4642331 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539458 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539458&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016933 442141021 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332655 COc1cccc(CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 InChI=1S/C26H34N2O5/c1-30-22-10-5-7-17(11-22)16-28-20-8-6-9-21(28)15-19(14-20)27-26(29)18-12-23(31-2)25(33-4)24(13-18)32-3/h5,7,10-13,19-21H,6,8-9,14-16H2,1-4H3,(H,27,29)/t19-,20-,21+ FEQSAQSUWCJNBF-MZADTFQBSA-N 50539459 CHEMBL4635563 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539459 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539459&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014556 442141022 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332656 COc1ccc(CN2[C@H]3CCC[C@@H]2C[C@H](C3)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 InChI=1S/C26H34N2O5/c1-30-22-10-8-17(9-11-22)16-28-20-6-5-7-21(28)15-19(14-20)27-26(29)18-12-23(31-2)25(33-4)24(13-18)32-3/h8-13,19-21H,5-7,14-16H2,1-4H3,(H,27,29)/t19-,20-,21+ DCBRWARWIDLMFD-MZADTFQBSA-N 50539460 CHEMBL4649098 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539460 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539460&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156021341 442141023 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332657 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1Cl InChI=1S/C25H31ClN2O4/c1-30-22-11-17(12-23(31-2)24(22)32-3)25(29)27-18-13-19-8-6-9-20(14-18)28(19)15-16-7-4-5-10-21(16)26/h4-5,7,10-12,18-20H,6,8-9,13-15H2,1-3H3,(H,27,29)/t18-,19-,20+ LSWOWMVINVLOQV-OWZKRDHZSA-N 50539461 CHEMBL4633217 C-X-C chemokine receptor type 6 11500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539461 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539461&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156011084 442141024 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332658 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cccc(Cl)c1 InChI=1S/C25H31ClN2O4/c1-30-22-11-17(12-23(31-2)24(22)32-3)25(29)27-19-13-20-8-5-9-21(14-19)28(20)15-16-6-4-7-18(26)10-16/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,27,29)/t19-,20-,21+ WVSXVAOIINMPPV-MZADTFQBSA-N 50539462 CHEMBL4641144 C-X-C chemokine receptor type 6 14800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539462 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539462&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016038 442141025 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332659 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(Cl)cc1 InChI=1S/C25H31ClN2O4/c1-30-22-11-17(12-23(31-2)24(22)32-3)25(29)27-19-13-20-5-4-6-21(14-19)28(20)15-16-7-9-18(26)10-8-16/h7-12,19-21H,4-6,13-15H2,1-3H3,(H,27,29)/t19-,20-,21+ BCMJACCJDMVBOI-MZADTFQBSA-N 50539463 CHEMBL4644405 C-X-C chemokine receptor type 6 38600 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539463 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539463&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156018695 442141026 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332660 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc2ccccc2c1 InChI=1S/C29H34N2O4/c1-33-26-14-22(15-27(34-2)28(26)35-3)29(32)30-23-16-24-9-6-10-25(17-23)31(24)18-19-11-12-20-7-4-5-8-21(20)13-19/h4-5,7-8,11-15,23-25H,6,9-10,16-18H2,1-3H3,(H,30,32)/t23-,24-,25+ PUIFEAQLHNIDGH-MPIKPJSNSA-N 50539464 CHEMBL4637473 C-X-C chemokine receptor type 6 47300 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539464&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012554 442141027 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332661 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc2ccccc2n1 InChI=1S/C28H33N3O4/c1-33-25-13-19(14-26(34-2)27(25)35-3)28(32)30-21-15-22-8-6-9-23(16-21)31(22)17-20-12-11-18-7-4-5-10-24(18)29-20/h4-5,7,10-14,21-23H,6,8-9,15-17H2,1-3H3,(H,30,32)/t21-,22-,23+ NELQODPRBBXPOR-WBDAEOGXSA-N 50539465 CHEMBL4641301 C-X-C chemokine receptor type 6 40300 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539465&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016371 442141028 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332662 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cc2ccccc2[nH]1 50539466 CHEMBL4635792 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539466&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156014218 442141029 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332663 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1c[nH]c2ccccc12 50539467 CHEMBL4645152 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539467&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156018367 442141030 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332664 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cn2ccccc2n1 InChI=1S/C26H32N4O4/c1-32-22-11-17(12-23(33-2)25(22)34-3)26(31)28-18-13-20-7-6-8-21(14-18)30(20)16-19-15-29-10-5-4-9-24(29)27-19/h4-5,9-12,15,18,20-21H,6-8,13-14,16H2,1-3H3,(H,28,31)/t18-,20-,21+ QFNLHHCMQDABJU-ZKTXZKFHSA-N 50539468 CHEMBL4645833 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539468&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019551 442141031 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332665 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cc2ccccc2s1 InChI=1S/C27H32N2O4S/c1-31-23-12-18(13-24(32-2)26(23)33-3)27(30)28-19-14-20-8-6-9-21(15-19)29(20)16-22-11-17-7-4-5-10-25(17)34-22/h4-5,7,10-13,19-21H,6,8-9,14-16H2,1-3H3,(H,28,30)/t19-,20-,21+ FPEARQOZGIFEFZ-MZADTFQBSA-N 50539469 CHEMBL4633183 C-X-C chemokine receptor type 6 25000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539469&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156010734 442141032 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332666 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2ccccc2s1 InChI=1S/C26H31N3O4S/c1-31-21-11-16(12-22(32-2)25(21)33-3)26(30)27-17-13-18-7-6-8-19(14-17)29(18)15-24-28-20-9-4-5-10-23(20)34-24/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,27,30)/t17-,18-,19+ OOCZMEOCJAKHAM-LDLYASANSA-N 50539470 CHEMBL4642230 C-X-C chemokine receptor type 6 7900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539470&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156017102 442141033 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332667 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2ccccc2o1 InChI=1S/C26H31N3O5/c1-31-22-11-16(12-23(32-2)25(22)33-3)26(30)27-17-13-18-7-6-8-19(14-17)29(18)15-24-28-20-9-4-5-10-21(20)34-24/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,27,30)/t17-,18-,19+ NXKKCSAWPYGOIN-LDLYASANSA-N 50539471 CHEMBL4642449 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539471&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016540 442141034 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332668 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2ccccc2[nH]1 50539472 CHEMBL4646034 C-X-C chemokine receptor type 6 >40000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539472&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019475 442141035 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332669 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CCc1nc2ccccc2s1 InChI=1S/C27H33N3O4S/c1-32-22-13-17(14-23(33-2)26(22)34-3)27(31)28-18-15-19-7-6-8-20(16-18)30(19)12-11-25-29-21-9-4-5-10-24(21)35-25/h4-5,9-10,13-14,18-20H,6-8,11-12,15-16H2,1-3H3,(H,28,31)/t18-,19-,20+ AFTDZOGTGOFYRJ-OWZKRDHZSA-N 50539473 CHEMBL4637775 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539473&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156011905 442141036 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332670 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)c1nc2ccccc2s1 InChI=1S/C27H31N3O5S/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-21(31)27-29-20-9-4-5-10-24(20)36-27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)/t17-,18-,19+ QLWKVOWKYWURTF-LDLYASANSA-N 50539474 CHEMBL4649243 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539474&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156020779 442141037 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332671 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(Cl)cccc2s1 InChI=1S/C26H30ClN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+ MRQNGMOMCQMMDB-NNZMDNLPSA-N 50539475 CHEMBL4646120 C-X-C chemokine receptor type 6 130 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539475&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019227 442141038 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332672 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2cc(Cl)ccc2s1 InChI=1S/C26H30ClN3O4S/c1-32-21-9-15(10-22(33-2)25(21)34-3)26(31)28-17-12-18-5-4-6-19(13-17)30(18)14-24-29-20-11-16(27)7-8-23(20)35-24/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,28,31)/t17-,18-,19+ YPSNCHDBQJEURE-LDLYASANSA-N 50539476 CHEMBL4641681 C-X-C chemokine receptor type 6 170 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539476&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016430 442141039 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332673 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2ccc(Cl)cc2s1 InChI=1S/C26H30ClN3O4S/c1-32-21-9-15(10-22(33-2)25(21)34-3)26(31)28-17-12-18-5-4-6-19(13-17)30(18)14-24-29-20-8-7-16(27)11-23(20)35-24/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,28,31)/t17-,18-,19+ FTLHKUAREZWECG-LDLYASANSA-N 50539477 CHEMBL4640319 C-X-C chemokine receptor type 6 270 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539477&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156015010 442141040 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332674 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2cccc(Cl)c2s1 InChI=1S/C26H30ClN3O4S/c1-32-21-10-15(11-22(33-2)24(21)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-20-9-5-8-19(27)25(20)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+ VOWSKEQHRZXKQF-NNZMDNLPSA-N 50539478 CHEMBL4638493 C-X-C chemokine receptor type 6 260 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539478&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012383 442141041 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332675 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(F)cccc2s1 InChI=1S/C26H30FN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+ WUHJPRPFIHYQBG-NNZMDNLPSA-N 50539479 CHEMBL4632425 C-X-C chemokine receptor type 6 110 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539479&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156010556 442141042 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332676 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(C)cccc2s1 InChI=1S/C27H33N3O4S/c1-16-7-5-10-23-25(16)29-24(35-23)15-30-19-8-6-9-20(30)14-18(13-19)28-27(31)17-11-21(32-2)26(34-4)22(12-17)33-3/h5,7,10-12,18-20H,6,8-9,13-15H2,1-4H3,(H,28,31)/t18-,19-,20+ GMKNHXQGYSEWKJ-OWZKRDHZSA-N 50539480 CHEMBL4639692 C-X-C chemokine receptor type 6 250 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539480&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012971 442141043 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332677 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(OC)cccc2s1 InChI=1S/C27H33N3O5S/c1-32-20-9-6-10-23-25(20)29-24(36-23)15-30-18-7-5-8-19(30)14-17(13-18)28-27(31)16-11-21(33-2)26(35-4)22(12-16)34-3/h6,9-12,17-19H,5,7-8,13-15H2,1-4H3,(H,28,31)/t17-,18-,19+ DAFZGCMXOSWKOV-LDLYASANSA-N 50539481 CHEMBL4636339 C-X-C chemokine receptor type 6 3100 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539481&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156013810 442141044 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332678 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(Br)cccc2s1 InChI=1S/C26H30BrN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+ OOVLSTNISTYZQS-NNZMDNLPSA-N 50539482 CHEMBL4638895 C-X-C chemokine receptor type 6 80 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539482&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156013177 442141045 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332679 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(cccc2s1)C(F)(F)F InChI=1S/C27H30F3N3O4S/c1-35-20-10-15(11-21(36-2)25(20)37-3)26(34)31-16-12-17-6-4-7-18(13-16)33(17)14-23-32-24-19(27(28,29)30)8-5-9-22(24)38-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,31,34)/t16-,17-,18+ OZAGNFAFPKLYFB-NNZMDNLPSA-N 50539483 CHEMBL4637126 C-X-C chemokine receptor type 6 40 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539483&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012542 442141046 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332680 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(Cl)cccc2s1 InChI=1S/C26H30ClN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+ MRQNGMOMCQMMDB-NNZMDNLPSA-N 50539475 CHEMBL4646120 C-X-C chemokine receptor type 6 900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539475&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156019227 442141038 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332681 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2cc(Cl)ccc2s1 InChI=1S/C26H30ClN3O4S/c1-32-21-9-15(10-22(33-2)25(21)34-3)26(31)28-17-12-18-5-4-6-19(13-17)30(18)14-24-29-20-11-16(27)7-8-23(20)35-24/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,28,31)/t17-,18-,19+ YPSNCHDBQJEURE-LDLYASANSA-N 50539476 CHEMBL4641681 C-X-C chemokine receptor type 6 3200 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539476&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156016430 442141039 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332682 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2ccc(Cl)cc2s1 InChI=1S/C26H30ClN3O4S/c1-32-21-9-15(10-22(33-2)25(21)34-3)26(31)28-17-12-18-5-4-6-19(13-17)30(18)14-24-29-20-8-7-16(27)11-23(20)35-24/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,28,31)/t17-,18-,19+ FTLHKUAREZWECG-LDLYASANSA-N 50539477 CHEMBL4640319 C-X-C chemokine receptor type 6 14000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539477&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156015010 442141040 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332683 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2cccc(Cl)c2s1 InChI=1S/C26H30ClN3O4S/c1-32-21-10-15(11-22(33-2)24(21)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-20-9-5-8-19(27)25(20)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+ VOWSKEQHRZXKQF-NNZMDNLPSA-N 50539478 CHEMBL4638493 C-X-C chemokine receptor type 6 8900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539478&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012383 442141041 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332684 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(F)cccc2s1 InChI=1S/C26H30FN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+ WUHJPRPFIHYQBG-NNZMDNLPSA-N 50539479 CHEMBL4632425 C-X-C chemokine receptor type 6 1900 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539479&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156010556 442141042 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332685 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(C)cccc2s1 InChI=1S/C27H33N3O4S/c1-16-7-5-10-23-25(16)29-24(35-23)15-30-19-8-6-9-20(30)14-18(13-19)28-27(31)17-11-21(32-2)26(34-4)22(12-17)33-3/h5,7,10-12,18-20H,6,8-9,13-15H2,1-4H3,(H,28,31)/t18-,19-,20+ GMKNHXQGYSEWKJ-OWZKRDHZSA-N 50539480 CHEMBL4639692 C-X-C chemokine receptor type 6 4800 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539480&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012971 442141043 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332686 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(OC)cccc2s1 InChI=1S/C27H33N3O5S/c1-32-20-9-6-10-23-25(20)29-24(36-23)15-30-18-7-5-8-19(30)14-17(13-18)28-27(31)16-11-21(33-2)26(35-4)22(12-16)34-3/h6,9-12,17-19H,5,7-8,13-15H2,1-4H3,(H,28,31)/t17-,18-,19+ DAFZGCMXOSWKOV-LDLYASANSA-N 50539481 CHEMBL4636339 C-X-C chemokine receptor type 6 >50000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539481&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156013810 442141044 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332687 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(Br)cccc2s1 InChI=1S/C26H30BrN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+ OOVLSTNISTYZQS-NNZMDNLPSA-N 50539482 CHEMBL4638895 C-X-C chemokine receptor type 6 1000 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539482&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156013177 442141045 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332688 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(cccc2s1)C(F)(F)F InChI=1S/C27H30F3N3O4S/c1-35-20-10-15(11-21(36-2)25(20)37-3)26(34)31-16-12-17-6-4-7-18(13-16)33(17)14-23-32-24-19(27(28,29)30)8-5-9-22(24)38-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,31,34)/t16-,17-,18+ OZAGNFAFPKLYFB-NNZMDNLPSA-N 50539483 CHEMBL4637126 C-X-C chemokine receptor type 6 500 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539483&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012542 442141046 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332689 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(cccc2s1)C(F)(F)F InChI=1S/C27H30F3N3O4S/c1-35-20-10-15(11-21(36-2)25(20)37-3)26(34)31-16-12-17-6-4-7-18(13-16)33(17)14-23-32-24-19(27(28,29)30)8-5-9-22(24)38-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,31,34)/t16-,17-,18+ OZAGNFAFPKLYFB-NNZMDNLPSA-N 50539483 CHEMBL4637126 C-X-C chemokine receptor type 6 2100 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539483&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012542 442141046 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332691 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2CC(=O)Nc1ccccc1Cl InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+ SSPYAPRDKNCABY-LDLYASANSA-N 50539457 CHEMBL4645971 C-X-C chemokine receptor type 6 140 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539457 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539457&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 71768224 442141020 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5 51332693 COc1cc(cc(OC)c1OC)C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1nc2c(cccc2s1)C(F)(F)F InChI=1S/C27H30F3N3O4S/c1-35-20-10-15(11-21(36-2)25(20)37-3)26(34)31-16-12-17-6-4-7-18(13-16)33(17)14-23-32-24-19(27(28,29)30)8-5-9-22(24)38-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,31,34)/t16-,17-,18+ OZAGNFAFPKLYFB-NNZMDNLPSA-N 50539483 CHEMBL4637126 C-X-C chemokine receptor type 6 40 ChEMBL 10.1016/j.bmcl.2019.126899 10.7270/Q2K077T6 31882297 Peddibhotla, S; Hershberger, PM; Jason Kirby, R; Sugarman, E; Maloney, PR; Hampton Sessions, E; Divlianska, D; Morfa, CJ; Terry, D; Pinkerton, AB; Smith, LH; Malany, S Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50539483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007487&target=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50539483&enzyme=C-X-C+chemokine+receptor+type+6&column=ki&startPg=0&Increment=50&submit=Search 156012542 442141046 1 MAEHDYHEDYGFSSFNDSSQEEHQDFLQFSKVFLPCMYLVVFVCGLVGNSLVLVISIFYHKLQSLTDVFLVNLPLADLVFVCTLPFWAYAGIHEWVFGQVMCKSLLGIYTINFYTSMLILTCITVDRFIVVVKATKAYNQQAKRMTWGKVTSLLIWVISLLVSLPQIIYGNVFNLDKLICGYHDEAISTVVLATQMTLGFFLPLLTMIVCYSVIIKTLLHAGGFQKHRSLKIIFLVMAVFLLTQMPFNLMKFIRSTHWEYYAMTSFHYTIMVTEAIAYLRACLNPVLYAFVSLKFRKNFWKLVKDIGCLPYLGVSHQWKSSEDNSKTFSASHNVEATSMFQL C-X-C chemokine receptor type 6 CXCR6_HUMAN O00574 O00575 Q9HCA5