Compile Data Set for Download or QSAR

Found 163 hits of ec50 for UniProtKB: P03406   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288119 (Production of 7′-(3-chloro-2-fluorobenzylcar...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(C)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C24H25ClFN3O6/c1-13(30)35-21-19-23(33)28(2)12-24(7-14(8-24)11-34-3)29(19)10-16(20(21)31)22(32)27-9-15-5-4-6-17(25)18(15)26/h4-6,10,14H,7-9,11-12H2,1-3H3,(H,27,32)/t14-,24+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288127 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C26H29ClFN3O6/c1-14(2)25(35)37-22-20-24(34)30(3)13-26(8-15(9-26)12-36-4)31(20)11-17(21(22)32)23(33)29-10-16-6-5-7-18(27)19(16)28/h5-7,11,14-15H,8-10,12-13H2,1-4H3,(H,29,33)/t15-,26+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288106 (Production of Monosodium 7′-(3-chloro-2-fluo...) Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Na])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C21H21ClFN3O5.Na/c1-25-10-21(6-12(7-21)31-2)26-9-13(17(27)18(28)16(26)20(25)30)19(29)24-8-11-4-3-5-14(22)15(11)23;/h3-5,9,12,28H,6-8,10H2,1-2H3,(H,24,29);/q;+1/p-1/t12-,21+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288126 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...) Show SMILES CCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@H](COC)C3)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O Show InChI InChI=1S/C25H27ClFN3O6/c1-4-18(31)36-22-20-24(34)29(2)13-25(8-14(9-25)12-35-3)30(20)11-16(21(22)32)23(33)28-10-15-6-5-7-17(26)19(15)27/h5-7,11,14H,4,8-10,12-13H2,1-3H3,(H,28,33)/t14-,25+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288115 (Production of N-(3-chloro-2-fluorobenzyl)-9′...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288131 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3ccc(C)cc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C30H29ClFN3O6/c1-17-7-9-19(10-8-17)29(39)41-26-24-28(38)34(2)16-30(11-18(12-30)15-40-3)35(24)14-21(25(26)36)27(37)33-13-20-5-4-6-22(31)23(20)32/h4-10,14,18H,11-13,15-16H2,1-3H3,(H,33,37)/t18-,30+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288113 (Production of N-(3-chloro-2-fluorobenzyl)-9′...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288125 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...) Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C25H27ClFN3O6/c1-13(2)24(34)36-21-19-23(33)29(3)12-25(8-15(9-25)35-4)30(19)11-16(20(21)31)22(32)28-10-14-6-5-7-17(26)18(14)27/h5-7,11,13,15H,8-10,12H2,1-4H3,(H,28,32)/t15-,25+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288122 (US10087178, Example 40) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3cccc(c3)C([O-])=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C30H27ClFN3O8/c1-34-15-30(10-16(11-30)14-42-2)35-13-20(26(37)33-12-19-7-4-8-21(31)22(19)32)24(36)25(23(35)27(34)38)43-29(41)18-6-3-5-17(9-18)28(39)40/h3-9,13,16H,10-12,14-15H2,1-2H3,(H,33,37)(H,39,40)/p-1/t16-,30+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288124 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...) Show SMILES CCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@@H](C3)OC)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O Show InChI InChI=1S/C24H25ClFN3O6/c1-4-17(30)35-21-19-23(33)28(2)12-24(8-14(9-24)34-3)29(19)11-15(20(21)31)22(32)27-10-13-6-5-7-16(25)18(13)26/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,27,32)/t14-,24+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288128 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...) Show SMILES CCCCCCCCCCCCCCCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@H](COC)C3)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O Show InChI InChI=1S/C38H53ClFN3O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31(44)49-35-33-37(47)42(2)26-38(21-27(22-38)25-48-3)43(33)24-29(34(35)45)36(46)41-23-28-18-17-19-30(39)32(28)40/h17-19,24,27H,4-16,20-23,25-26H2,1-3H3,(H,41,46)/t27-,38+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288112 (US10087178, Example 30) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Ca]Oc3c4C(=O)N(C)C[C@]5(C[C@H](COC)C5)n4cc(C(=O)NCc4cccc(Cl)c4F)c3=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/2C22H23ClFN3O5.Ca/c2*1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24;/h2*3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30);/q;;+2/p-2/t2*12-,22+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288132 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)CN(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C26H30ClFN4O6/c1-30(2)12-19(33)38-23-21-25(36)31(3)14-26(8-15(9-26)13-37-4)32(21)11-17(22(23)34)24(35)29-10-16-6-5-7-18(27)20(16)28/h5-7,11,15H,8-10,12-14H2,1-4H3,(H,29,35)/t15-,26+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288129 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C29H27ClFN3O6/c1-33-16-29(11-17(12-29)15-39-2)34-14-20(26(36)32-13-19-9-6-10-21(30)22(19)31)24(35)25(23(34)27(33)37)40-28(38)18-7-4-3-5-8-18/h3-10,14,17H,11-13,15-16H2,1-2H3,(H,32,36)/t17-,29+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288121 (Production of (E)-4-[7′-(3-chloro-2-fluorobe...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)\C=C\C(O)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C26H25ClFN3O8/c1-30-13-26(8-14(9-26)12-38-2)31-11-16(24(36)29-10-15-4-3-5-17(27)20(15)28)22(35)23(21(31)25(30)37)39-19(34)7-6-18(32)33/h3-7,11,14H,8-10,12-13H2,1-2H3,(H,29,36)(H,32,33)/b7-6+/t14-,26+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288109 (Production of N-(3-chloro-2-fluorobenzyl)-9′...) Show SMILES COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C29H29ClFN3O5/c1-33-17-29(11-19(12-29)15-38-2)34-14-21(27(36)32-13-20-9-6-10-22(30)23(20)31)25(35)26(24(34)28(33)37)39-16-18-7-4-3-5-8-18/h3-10,14,19H,11-13,15-17H2,1-2H3,(H,32,36)/t19-,29-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288105 (Production of N-(3-chloro-2-fluorobenzyl)-9′...) Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C28H27ClFN3O5/c1-32-16-28(11-19(12-28)37-2)33-14-20(26(35)31-13-18-9-6-10-21(29)22(18)30)24(34)25(23(33)27(32)36)38-15-17-7-4-3-5-8-17/h3-10,14,19H,11-13,15-16H2,1-2H3,(H,31,35)/t19-,28+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288130 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C27H31ClFN3O6/c1-26(2,3)25(36)38-22-20-24(35)31(4)14-27(9-15(10-27)13-37-5)32(20)12-17(21(22)33)23(34)30-11-16-7-6-8-18(28)19(16)29/h6-8,12,15H,9-11,13-14H2,1-5H3,(H,30,34)/t15-,27+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288172 ((1S,2S)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1COC)C(=O)NCc1ccc(F)cc1F Show InChI InChI=1S/C22H23F2N3O5/c1-3-27-21(31)17-19(29)18(28)15(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-4-5-14(23)6-16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288108 (Production of N-(3-chloro-2-fluorobenzyl)-9′...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C29H29ClFN3O5/c1-33-17-29(11-19(12-29)15-38-2)34-14-21(27(36)32-13-20-9-6-10-22(30)23(20)31)25(35)26(24(34)28(33)37)39-16-18-7-4-3-5-8-18/h3-10,14,19H,11-13,15-17H2,1-2H3,(H,32,36)/t19-,29+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288113 (Production of N-(3-chloro-2-fluorobenzyl)-9′...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288024 (US10087178, Example 6) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288107 (Production of Monopotassium 7′-(3-chloro-2-f...) Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[K])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C21H21ClFN3O5.K/c1-25-10-21(6-12(7-21)31-2)26-9-13(17(27)18(28)16(26)20(25)30)19(29)24-8-11-4-3-5-14(22)15(11)23;/h3-5,9,12,28H,6-8,10H2,1-2H3,(H,24,29);/q;+1/p-1/t12-,21+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288110 (Production of Monosodium 7′-(3-chloro-2-fluo...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Na])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5.Na/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24;/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30);/q;+1/p-1/t12-,22+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288173 ((1S,2S)-N-(2,4- difluorobenzyl)-9'-hydroxy- 2'-iso...) Show SMILES COC[C@H]1C[C@@]11Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)N1C(C)C Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)28-22(32)18-20(30)19(29)16(9-27(18)11-23(28)7-14(23)10-33-3)21(31)26-8-13-4-5-15(24)6-17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288080 (N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-trans-3- i...) Show SMILES CC(C)O[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C23H25ClFN3O5/c1-12(2)33-14-7-23(8-14)11-27(3)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31)/t14-,23-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288091 (N-(2,4-difluorobenzyl)-cis- 3-ethoxy-9'-hydroxy-2'...) Show SMILES CCO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F Show InChI InChI=1S/C22H23F2N3O5/c1-3-32-14-7-22(8-14)11-26(2)21(31)17-19(29)18(28)15(10-27(17)22)20(30)25-9-12-4-5-13(23)6-16(12)24/h4-6,10,14,29H,3,7-9,11H2,1-2H3,(H,25,30)/t14-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288111 (Production of Monopotassium 7′-(3-chloro-2-f...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[K])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5.K/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24;/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30);/q;+1/p-1/t12-,22+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288037 (US10087178, Example 18) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H]1COC)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-5-4-6-15(23)16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288118 (Production of Monopotassium 7′-(3-chloro-2-f...) Show SMILES CCN1C(=O)c2c(O[K])c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5.K/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24;/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30);/q;+1/p-1/t13-,22-;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288123 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...) Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(C)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C23H23ClFN3O6/c1-12(29)34-20-18-22(32)27(2)11-23(7-14(8-23)33-3)28(18)10-15(19(20)30)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,14H,7-9,11H2,1-3H3,(H,26,31)/t14-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288171 ((1S,2S)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1CO)C(=O)NCc1ccc(F)cc1F Show InChI InChI=1S/C21H21F2N3O5/c1-2-26-20(31)16-18(29)17(28)14(8-25(16)10-21(26)6-12(21)9-27)19(30)24-7-11-3-4-13(22)5-15(11)23/h3-5,8,12,27,29H,2,6-7,9-10H2,1H3,(H,24,30)/t12-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288022 (US10087178, Example 4) Show SMILES COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288023 (US10087178, Example 5) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11CC(C1)OC)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13?,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288019 (US10087178, Example 1) Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(6-12(7-21)31-2)26-9-13(17(27)18(28)16(26)20(25)30)19(29)24-8-11-4-3-5-14(22)15(11)23/h3-5,9,12,28H,6-8,10H2,1-2H3,(H,24,29)/t12-,21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288156 ((1R,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...) Show SMILES COC[C@@H]1C[C@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(6-12(21)9-31-2)26-8-13(17(27)18(28)16(26)20(25)30)19(29)24-7-11-4-3-5-14(22)15(11)23/h3-5,8,12,28H,6-7,9-10H2,1-2H3,(H,24,29)/t12-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288021 (US10087178, Example 3) Show SMILES COCC1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12?,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288116 (Production of N-(3-chloro-2-fluorobenzyl)-2′...) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13-,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288164 ((1S,2S)-N7'-(3-chloro-2- fluorobenzyl)-2'-cyclopro...) Show SMILES CN(C)C(=O)[C@H]1C[C@@]11CN(C2CC2)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C24H24ClFN4O5/c1-28(2)22(34)15-8-24(15)11-29(13-6-7-13)23(35)18-20(32)19(31)14(10-30(18)24)21(33)27-9-12-4-3-5-16(25)17(12)26/h3-5,10,13,15,32H,6-9,11H2,1-2H3,(H,27,33)/t15-,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288165 ((1R,2R)-N7'-(3-chloro-2- fluorobenzyl)-2'-cyclopro...) Show SMILES CN(C)C(=O)[C@@H]1C[C@]11CN(C2CC2)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C24H24ClFN4O5/c1-28(2)22(34)15-8-24(15)11-29(13-6-7-13)23(35)18-20(32)19(31)14(10-30(18)24)21(33)27-9-12-4-3-5-16(25)17(12)26/h3-5,10,13,15,32H,6-9,11H2,1-2H3,(H,27,33)/t15-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288066 (N-(3-chloro-2-fluorobenzyl)- trans-3,9'-dihydroxy-...) Show SMILES CN1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O Show InChI InChI=1S/C20H19ClFN3O5/c1-24-9-20(5-11(26)6-20)25-8-12(16(27)17(28)15(25)19(24)30)18(29)23-7-10-3-2-4-13(21)14(10)22/h2-4,8,11,26,28H,5-7,9H2,1H3,(H,23,29)/t11-,20-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288036 (US10087178, Example 17) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1COC)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-5-4-6-15(23)16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288178 ((1R,2R)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H]1CO)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C21H21ClFN3O5/c1-2-26-20(31)16-18(29)17(28)13(8-25(16)10-21(26)6-12(21)9-27)19(30)24-7-11-4-3-5-14(22)15(11)23/h3-5,8,12,27,29H,2,6-7,9-10H2,1H3,(H,24,30)/t12-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288145 ((1S,2S)-N7'-(3-chloro-2- fluorobenzyl)-9'-hydroxy-...) Show SMILES CC(C)N1C[C@@]2(C[C@@H]2C(=O)N(C)C)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O Show InChI InChI=1S/C24H26ClFN4O5/c1-12(2)29-11-24(8-15(24)22(34)28(3)4)30-10-14(19(31)20(32)18(30)23(29)35)21(33)27-9-13-6-5-7-16(25)17(13)26/h5-7,10,12,15,32H,8-9,11H2,1-4H3,(H,27,33)/t15-,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288152 ((1R,2R)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...) Show SMILES CCN1C[C@]2(C[C@H]2COC)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O Show InChI InChI=1S/C22H23ClFN3O5/c1-3-26-11-22(7-13(22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-12-5-4-6-15(23)16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288079 (N-(3-chloro-2-fluorobenzyl)- cis-3-(ethoxymethyl)-...) Show SMILES CCOC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C23H25ClFN3O5/c1-3-33-11-13-7-23(8-13)12-27(2)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-14-5-4-6-16(24)17(14)25/h4-6,10,13,30H,3,7-9,11-12H2,1-2H3,(H,26,31)/t13-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288081 (N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-cis-3-isop...) Show SMILES CC(C)O[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C23H25ClFN3O5/c1-12(2)33-14-7-23(8-14)11-27(3)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31)/t14-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288087 (N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-c...) Show SMILES CCN1C[C@]2(C[C@H](COC)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O Show InChI InChI=1S/C23H25ClFN3O5/c1-3-27-12-23(7-13(8-23)11-33-2)28-10-15(19(29)20(30)18(28)22(27)32)21(31)26-9-14-5-4-6-16(24)17(14)25/h4-6,10,13,30H,3,7-9,11-12H2,1-2H3,(H,26,31)/t13-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288092 (N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...) Show SMILES CO[C@H]1C[C@]2(C1)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C(=O)N2C(C)C Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)28-22(32)18-20(30)19(29)16(10-27(18)11-23(28)7-15(8-23)33-3)21(31)26-9-13-4-5-14(24)6-17(13)25/h4-6,10,12,15,30H,7-9,11H2,1-3H3,(H,26,31)/t15-,23-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288060 (N-(2,4-difluorobenzyl)-2'- ethyl-9'-hydroxy-cis-3-...) Show SMILES CCN1C[C@]2(C[C@@H](C2)OC)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O Show InChI InChI=1S/C22H23F2N3O5/c1-3-26-11-22(7-14(8-22)32-2)27-10-15(18(28)19(29)17(27)21(26)31)20(30)25-9-12-4-5-13(23)6-16(12)24/h4-6,10,14,29H,3,7-9,11H2,1-2H3,(H,25,30)/t14-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	25
Japan Tobacco Inc US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair

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