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 50073016 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22) VPVLEBIVXZSOMQ-UHFFFAOYSA-N 50325986 3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenol::CHEMBL405759::TWS-119 Glycogen synthase kinase-3 beta Mus musculus 1000 ChEMBL 10.1038/nchembio0705-74 10.7270/Q2MC9118 16408003 Tan, DS Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325986&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 9549289 123105101 CHEMBL405759 5980 ZINC11757505 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50073017 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22) VPVLEBIVXZSOMQ-UHFFFAOYSA-N 50325986 3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenol::CHEMBL405759::TWS-119 Glycogen synthase kinase-3 beta Mus musculus 126 ChEMBL 10.1038/nchembio0705-74 10.7270/Q2MC9118 16408003 Tan, DS Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325986&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 9549289 123105101 CHEMBL405759 5980 ZINC11757505 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50073018 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22) VPVLEBIVXZSOMQ-UHFFFAOYSA-N 50325986 3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenol::CHEMBL405759::TWS-119 Glycogen synthase kinase-3 beta Mus musculus 1000 ChEMBL 10.1038/nchembio0705-74 10.7270/Q2MC9118 16408003 Tan, DS Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325986&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 9549289 123105101 CHEMBL405759 5980 ZINC11757505 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50073019 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22) VPVLEBIVXZSOMQ-UHFFFAOYSA-N 50325986 3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenol::CHEMBL405759::TWS-119 Glycogen synthase kinase-3 beta Mus musculus 30 ChEMBL 10.1038/nchembio0705-74 10.7270/Q2MC9118 16408003 Tan, DS Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325986&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 9549289 123105101 CHEMBL405759 5980 ZINC11757505 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50917523 Nc1cccc(c1)-c1cc2c(Oc3cccc(O)c3)ncnc2[nH]1 InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22) VPVLEBIVXZSOMQ-UHFFFAOYSA-N 50325986 3-(6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenol::CHEMBL405759::TWS-119 Glycogen synthase kinase-3 beta Mus musculus 1000 ChEMBL 10.1038/nchembio0705-74 10.7270/Q2MC9118 16408003 Tan, DS Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50325986 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50325986&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 9549289 123105101 CHEMBL405759 5980 ZINC11757505 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970005 CCN(CCN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 InChI=1S/C22H27N7O3S/c1-4-29(13-12-28(2)3)33(31,32)18-9-7-16(8-10-18)19-15-25-21(23)20(27-19)22(30)26-17-6-5-11-24-14-17/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,25)(H,26,30) YLBFKSSPFIKDLO-UHFFFAOYSA-N 50397741 CHEMBL2177167 Glycogen synthase kinase-3 beta Mus musculus 47 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397741&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 10118131 163346765 CHEMBL2177167 ZINC34251721 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970006 CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 InChI=1S/C20H23N7O3S/c1-27(2)11-10-24-31(29,30)16-7-5-14(6-8-16)17-13-23-19(21)18(26-17)20(28)25-15-4-3-9-22-12-15/h3-9,12-13,24H,10-11H2,1-2H3,(H2,21,23)(H,25,28) HULMMZPBCUBDJN-UHFFFAOYSA-N 50397742 CHEMBL2177166 Glycogen synthase kinase-3 beta Mus musculus 37 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397742&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 7YG 4ACM,4ACC 56962315 163346766 CHEMBL2177166 ZINC95573432 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970007 Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 InChI=1S/C20H20N6O4S/c21-19-18(20(27)24-15-2-1-7-22-12-15)25-17(13-23-19)14-3-5-16(6-4-14)31(28,29)26-8-10-30-11-9-26/h1-7,12-13H,8-11H2,(H2,21,23)(H,24,27) XNDBMYMVADOBNP-UHFFFAOYSA-N 50397743 CHEMBL2177165 Glycogen synthase kinase-3 beta Mus musculus 10 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397743&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search G8E 6HK4 10297008 163346767 CHEMBL2177165 ZINC38469830 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970008 Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1 InChI=1S/C21H22N6O3S/c22-20-19(21(28)25-16-5-4-10-23-13-16)26-18(14-24-20)15-6-8-17(9-7-15)31(29,30)27-11-2-1-3-12-27/h4-10,13-14H,1-3,11-12H2,(H2,22,24)(H,25,28) IEEBCOQGVKHYNM-UHFFFAOYSA-N 50397744 CHEMBL2177163 Glycogen synthase kinase-3 beta Mus musculus 87 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397744&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 10138033 163346768 CHEMBL2177163 ZINC34298540 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970009 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29) FHCSBLWRGCOVPT-UHFFFAOYSA-N 50397745 CHEMBL2177161 Glycogen synthase kinase-3 beta Mus musculus 76 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397745&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search GR9 4ACD 10138980 163346769 CHEMBL2177161 ZINC34299752 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970010 COCCNS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 InChI=1S/C19H20N6O4S/c1-29-10-9-23-30(27,28)15-6-4-13(5-7-15)16-12-22-18(20)17(25-16)19(26)24-14-3-2-8-21-11-14/h2-8,11-12,23H,9-10H2,1H3,(H2,20,22)(H,24,26) OMGQIHJJEYTELG-UHFFFAOYSA-N 50397746 CHEMBL2177159 Glycogen synthase kinase-3 beta Mus musculus 79 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397746&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 56603751 163346770 CHEMBL2177159 ZINC72190091 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970011 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1F)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 InChI=1S/C21H22FN7O3S/c1-28-7-9-29(10-8-28)33(31,32)18-5-4-14(11-16(18)22)17-13-25-20(23)19(27-17)21(30)26-15-3-2-6-24-12-15/h2-6,11-13H,7-10H2,1H3,(H2,23,25)(H,26,30) AFLCJXMOBVSHJB-UHFFFAOYSA-N 50397747 CHEMBL2177157 Glycogen synthase kinase-3 beta Mus musculus 49 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397747&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 10301015 163346771 CHEMBL2177157 ZINC38474688 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970012 CN1CCN(CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(n2)C(=O)Nc2cccnc2)c(c1)C(F)(F)F InChI=1S/C22H22F3N7O3S/c1-31-7-9-32(10-8-31)36(34,35)15-4-5-16(17(11-15)22(23,24)25)18-13-28-20(26)19(30-18)21(33)29-14-3-2-6-27-12-14/h2-6,11-13H,7-10H2,1H3,(H2,26,28)(H,29,33) OBMADRXYXXTZEF-UHFFFAOYSA-N 50397748 CHEMBL2177155 Glycogen synthase kinase-3 beta Mus musculus 5 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397748&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 10303030 163346772 CHEMBL2177155 ZINC38475906 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 50970013 CN1CCN(CC1)S(=O)(=O)c1ccc(c(C)c1)-c1cnc(N)c(n1)C(=O)Nc1cccnc1 InChI=1S/C22H25N7O3S/c1-15-12-17(33(31,32)29-10-8-28(2)9-11-29)5-6-18(15)19-14-25-21(23)20(27-19)22(30)26-16-4-3-7-24-13-16/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,26,30) MQQYTHLICOANLK-UHFFFAOYSA-N 50397749 CHEMBL2182002 Glycogen synthase kinase-3 beta Mus musculus 11 ChEMBL 10.1021/jm201724m 10.7270/Q2X0685T 22489897 Berg, S; Bergh, M; Hellberg, S; Hogdin, K; Lo-Alfredsson, Y; Soderman, P; von Berg, S; Weigelt, T; Ormo, M; Xue, Y; Tucker, J; Neelissen, J; Jerning, E; Nilsson, Y; Bhat, R AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50397749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50397749&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search 10118014 163346773 CHEMBL2182002 ZINC34251576 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60 51109210 COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17) YAEMHJKFIIIULI-UHFFFAOYSA-N 50229962 1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea::AR-A014418::CHEMBL259850::N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA Glycogen synthase kinase-3 beta Mus musculus 100 ChEMBL 10.1016/j.bmcl.2017.11.036 10.7270/Q2NG4T7X 29208522 Dou, X; Jiang, L; Wang, Y; Jin, H; Liu, Z; Zhang, L Peking University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50229962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004540&target=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50229962&enzyme=Glycogen+synthase+kinase-3+beta&column=ki&startPg=0&Increment=50&submit=Search TMU 1Q5K 448014 104098221 CHEMBL259850 DB01950 5979 ZINC03818778 1 MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASPPANATAASDTNAGDRGQTNNAASASASNST 2O5K,2OW3,3F7Z,3GB2,3SD0,3ZDI,4B7T,4NM0,4NM3,4NM5,4NM7,4NU1,5F94,5F95,5K5N,6AE3,6HK3,6HK4,6HK7,6TCU,6Y9R,6Y9S,7B6F,7OY5,7SXH,7SXJ,7U2Z,7U31,7U33,7U36,7Z1F,7Z1G,8AUZ,8AV1 Glycogen synthase kinase-3 beta GSK3B_MOUSE Q9WV60