Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'reisch' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucocorticoid receptor (RAT)	BDBM19235 (2-{5-[4-({[(2,4-difluorophenyl)methyl](3-methanesu...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27F3N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(31)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(32)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19234 (4-{4-[3-(4-{[benzyl(3-methanesulfonamido-2-methylp...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1 Show InChI InChI=1S/C36H41N3O7S/c1-27-33(38-47(2,43)44)14-7-15-34(27)39(25-28-10-4-3-5-11-28)26-29-18-20-30(21-19-29)46-32-13-6-12-31(24-32)45-23-9-16-35(40)37-22-8-17-36(41)42/h3-7,10-15,18-21,24,38H,8-9,16-17,22-23,25-26H2,1-2H3,(H,37,40)(H,41,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	86	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the 3(H)-dexamethasone from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of 3(...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM19234 (4-{4-[3-(4-{[benzyl(3-methanesulfonamido-2-methylp...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1 Show InChI InChI=1S/C36H41N3O7S/c1-27-33(38-47(2,43)44)14-7-15-34(27)39(25-28-10-4-3-5-11-28)26-29-18-20-30(21-19-29)46-32-13-6-12-31(24-32)45-23-9-16-35(40)37-22-8-17-36(41)42/h3-7,10-15,18-21,24,38H,8-9,16-17,22-23,25-26H2,1-2H3,(H,37,40)(H,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.10	n/a	4.80	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the 3(H)-dexamethasone from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of 3(...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (RAT)	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19236 (2-{2-bromo-5-[4-({[(2,4-difluorophenyl)methyl](3-m...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Br)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27BrF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	330	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the 3(H)-dexamethasone from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of 3(...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM19238 (2-{2-chloro-5-[4-({[(2,4-difluorophenyl)methyl](3-...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27ClF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM19237 (2-[4-(4-{[benzyl(3-methanesulfonamido-2-methylphen...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C30H30N2O6S/c1-22-28(31-39(2,35)36)9-6-10-29(22)32(19-23-7-4-3-5-8-23)20-24-11-13-26(14-12-24)38-27-17-15-25(16-18-27)37-21-30(33)34/h3-18,31H,19-21H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM19233 ((2R,10S,11S,14S,15S)-14-hydroxy-15-methyl-2-[(4-me...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20| Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19233 ((2R,10S,11S,14S,15S)-14-hydroxy-15-methyl-2-[(4-me...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20| Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	43	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the 3(H)-dexamethasone from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of 3(...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19238 (2-{2-chloro-5-[4-({[(2,4-difluorophenyl)methyl](3-...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27ClF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	500	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the 3(H)-dexamethasone from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of 3(...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19235 (2-{5-[4-({[(2,4-difluorophenyl)methyl](3-methanesu...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27F3N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(31)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(32)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	440	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the 3(H)-dexamethasone from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of 3(...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19237 (2-[4-(4-{[benzyl(3-methanesulfonamido-2-methylphen...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C30H30N2O6S/c1-22-28(31-39(2,35)36)9-6-10-29(22)32(19-23-7-4-3-5-8-23)20-24-11-13-26(14-12-24)38-27-17-15-25(16-18-27)37-21-30(33)34/h3-18,31H,19-21H2,1-2H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	255	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the 3(H)-dexamethasone from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of 3(...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50250183 (CHEMBL503188 | N-{3-[(4S)-4-Benzylamino-1-hydroxy-...) Show SMILES CC(C)CC[C@@]1(NCc2ccccc2)C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)c2ccccc12 |r,t:18| Show InChI InChI=1S/C30H32N4O6S2/c1-19(2)15-16-30(31-18-20-9-5-4-6-10-20)23-12-8-7-11-22(23)27(35)26(28(30)36)29-32-24-14-13-21(33-41(3,37)38)17-25(24)42(39,40)34-29/h4-14,17,19,26,31,33H,15-16,18H2,1-3H3,(H,32,34)/t26?,30-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV1b Con1 NS5B assessed as [3H]UTP incorporation into RNA by scintillation counting				J Med Chem 52: 3174-83 (2009) Article DOI: 10.1021/jm801485z BindingDB Entry DOI: 10.7270/Q2ZW1MV9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50249586 (CHEMBL504729 | N-{3-[4-[(2,6-Dimethylbenzyl)amino]...) Show SMILES Cc1cccc(C)c1CNC1(CCC(C)(C)C)C(=O)C(C(=O)c2ccccc12)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:31| Show InChI InChI=1S/C33H38N4O6S2/c1-20-10-9-11-21(2)24(20)19-34-33(17-16-32(3,4)5)25-13-8-7-12-23(25)29(38)28(30(33)39)31-35-26-15-14-22(36-44(6,40)41)18-27(26)45(42,43)37-31/h7-15,18,28,34,36H,16-17,19H2,1-6H3,(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV1b Con1 NS5B assessed as [3H]UTP incorporation into RNA by scintillation counting				J Med Chem 52: 3174-83 (2009) Article DOI: 10.1021/jm801485z BindingDB Entry DOI: 10.7270/Q2ZW1MV9
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19234 (4-{4-[3-(4-{[benzyl(3-methanesulfonamido-2-methylp...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1 Show InChI InChI=1S/C36H41N3O7S/c1-27-33(38-47(2,43)44)14-7-15-34(27)39(25-28-10-4-3-5-11-28)26-29-18-20-30(21-19-29)46-32-13-6-12-31(24-32)45-23-9-16-35(40)37-22-8-17-36(41)42/h3-7,10-15,18-21,24,38H,8-9,16-17,22-23,25-26H2,1-2H3,(H,37,40)(H,41,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM19236 (2-{2-bromo-5-[4-({[(2,4-difluorophenyl)methyl](3-m...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Br)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27BrF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM19238 (2-{2-chloro-5-[4-({[(2,4-difluorophenyl)methyl](3-...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27ClF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM19235 (2-{5-[4-({[(2,4-difluorophenyl)methyl](3-methanesu...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27F3N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(31)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(32)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM19234 (4-{4-[3-(4-{[benzyl(3-methanesulfonamido-2-methylp...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1 Show InChI InChI=1S/C36H41N3O7S/c1-27-33(38-47(2,43)44)14-7-15-34(27)39(25-28-10-4-3-5-11-28)26-29-18-20-30(21-19-29)46-32-13-6-12-31(24-32)45-23-9-16-35(40)37-22-8-17-36(41)42/h3-7,10-15,18-21,24,38H,8-9,16-17,22-23,25-26H2,1-2H3,(H,37,40)(H,41,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19237 (2-[4-(4-{[benzyl(3-methanesulfonamido-2-methylphen...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C30H30N2O6S/c1-22-28(31-39(2,35)36)9-6-10-29(22)32(19-23-7-4-3-5-8-23)20-24-11-13-26(14-12-24)38-27-17-15-25(16-18-27)37-21-30(33)34/h3-18,31H,19-21H2,1-2H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19238 (2-{2-chloro-5-[4-({[(2,4-difluorophenyl)methyl](3-...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27ClF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM19234 (4-{4-[3-(4-{[benzyl(3-methanesulfonamido-2-methylp...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1 Show InChI InChI=1S/C36H41N3O7S/c1-27-33(38-47(2,43)44)14-7-15-34(27)39(25-28-10-4-3-5-11-28)26-29-18-20-30(21-19-29)46-32-13-6-12-31(24-32)45-23-9-16-35(40)37-22-8-17-36(41)42/h3-7,10-15,18-21,24,38H,8-9,16-17,22-23,25-26H2,1-2H3,(H,37,40)(H,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM19237 (2-[4-(4-{[benzyl(3-methanesulfonamido-2-methylphen...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C30H30N2O6S/c1-22-28(31-39(2,35)36)9-6-10-29(22)32(19-23-7-4-3-5-8-23)20-24-11-13-26(14-12-24)38-27-17-15-25(16-18-27)37-21-30(33)34/h3-18,31H,19-21H2,1-2H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM19233 ((2R,10S,11S,14S,15S)-14-hydroxy-15-methyl-2-[(4-me...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20| Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM19238 (2-{2-chloro-5-[4-({[(2,4-difluorophenyl)methyl](3-...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F Show InChI InChI=1S/C30H27ClF2N2O6S/c1-19-27(34-42(2,38)39)4-3-5-28(19)35(17-21-8-9-22(32)14-26(21)33)16-20-6-10-23(11-7-20)41-24-12-13-25(31)29(15-24)40-18-30(36)37/h3-15,34H,16-18H2,1-2H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19233 ((2R,10S,11S,14S,15S)-14-hydroxy-15-methyl-2-[(4-me...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20| Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM19233 ((2R,10S,11S,14S,15S)-14-hydroxy-15-methyl-2-[(4-me...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20| Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM19237 (2-[4-(4-{[benzyl(3-methanesulfonamido-2-methylphen...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C30H30N2O6S/c1-22-28(31-39(2,35)36)9-6-10-29(22)32(19-23-7-4-3-5-8-23)20-24-11-13-26(14-12-24)38-27-17-15-25(16-18-27)37-21-30(33)34/h3-18,31H,19-21H2,1-2H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	8.0	4
Abbott Laboratories					Assay Description For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the...				J Med Chem 48: 5295-304 (2005) Article DOI: 10.1021/jm050205o BindingDB Entry DOI: 10.7270/Q21C1V5P
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453078 (CHEMBL4215254) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)C1CCCCC1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C52H67N9O6/c1-30(2)45(57-51(64)66-5)49(62)59-26-10-14-43(59)47-53-37-22-18-34(28-39(37)55-47)41-24-25-42(61(41)36-20-16-33(17-21-36)32-12-8-7-9-13-32)35-19-23-38-40(29-35)56-48(54-38)44-15-11-27-60(44)50(63)46(31(3)4)58-52(65)67-6/h16-23,28-32,41-46H,7-15,24-27H2,1-6H3,(H,53,55)(H,54,56)(H,57,64)(H,58,65)/t41-,42-,43+,44+,45+,46+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00700	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2b assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453100 (A-1325912.0 | ABT-530 | Pibrentasvir) Show SMILES CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@@H](N3c3cc(F)c(N4CCC(CC4)c4ccc(F)cc4)c(F)c3)c3cc4nc([nH]c4cc3F)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c(F)cc2[nH]1 |r| Show InChI InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00190	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2b assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453101 (CHEMBL4208591) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)N1CCC(CC1)c1ccccc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H70N10O6/c1-34(2)50(62-56(70)72-5)54(68)65-28-10-14-48(65)52-58-42-22-16-38(32-44(42)60-52)46-24-25-47(67(46)41-20-18-40(19-21-41)64-30-26-37(27-31-64)36-12-8-7-9-13-36)39-17-23-43-45(33-39)61-53(59-43)49-15-11-29-66(49)55(69)51(35(3)4)63-57(71)73-6/h7-9,12-13,16-23,32-35,37,46-51H,10-11,14-15,24-31H2,1-6H3,(H,58,60)(H,59,61)(H,62,70)(H,63,71)/t46-,47-,48+,49+,50+,51+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.481	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 3a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453102 (CHEMBL4206465) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)N1CCOCC1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H64N10O7/c1-29(2)43(55-49(63)65-5)47(61)58-21-7-9-41(58)45-51-35-17-11-31(27-37(35)53-45)39-19-20-40(60(39)34-15-13-33(14-16-34)57-23-25-67-26-24-57)32-12-18-36-38(28-32)54-46(52-36)42-10-8-22-59(42)48(62)44(30(3)4)56-50(64)66-6/h11-18,27-30,39-44H,7-10,19-26H2,1-6H3,(H,51,53)(H,52,54)(H,55,63)(H,56,64)/t39-,40-,41+,42+,43+,44+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 4a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00100	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 5a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453104 (CHEMBL3915742) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(ccc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCCCC2)c(F)c1)c1ccc2[nH]c(nc2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C51H64F2N10O6/c1-28(2)43(58-50(66)68-5)48(64)61-22-10-12-41(61)46-54-35-16-14-30(24-37(35)56-46)39-18-19-40(63(39)32-26-33(52)45(34(53)27-32)60-20-8-7-9-21-60)31-15-17-36-38(25-31)57-47(55-36)42-13-11-23-62(42)49(65)44(29(3)4)59-51(67)69-6/h14-17,24-29,39-44H,7-13,18-23H2,1-6H3,(H,54,56)(H,55,57)(H,58,66)(H,59,67)/t39-,40-,41+,42+,43+,44+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.151	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453105 (CHEMBL3960757) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40+,41+,42+,43+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00600	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 4a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453105 (CHEMBL3960757) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40+,41+,42+,43+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.152	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453106 (CHEMBL4215923) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H68F2N10O6/c1-32(2)49(64-56(72)74-5)54(70)67-24-10-14-47(67)52-60-41-18-16-36(28-43(41)62-52)45-20-21-46(69(45)38-30-39(58)51(40(59)31-38)66-26-22-35(23-27-66)34-12-8-7-9-13-34)37-17-19-42-44(29-37)63-53(61-42)48-15-11-25-68(48)55(71)50(33(3)4)65-57(73)75-6/h7-9,12-13,16-19,28-33,35,45-50H,10-11,14-15,20-27H2,1-6H3,(H,60,62)(H,61,63)(H,64,72)(H,65,73)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.183	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453107 (CHEMBL4215241) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(Cl)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H56ClN9O6/c1-25(2)39(52-45(59)61-5)43(57)54-21-7-9-37(54)41-48-31-17-11-27(23-33(31)50-41)35-19-20-36(56(35)30-15-13-29(47)14-16-30)28-12-18-32-34(24-28)51-42(49-32)38-10-8-22-55(38)44(58)40(26(3)4)53-46(60)62-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,48,50)(H,49,51)(H,52,59)(H,53,60)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453108 (CHEMBL4202479) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)-c1ccccc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C52H61N9O6/c1-30(2)45(57-51(64)66-5)49(62)59-26-10-14-43(59)47-53-37-22-18-34(28-39(37)55-47)41-24-25-42(61(41)36-20-16-33(17-21-36)32-12-8-7-9-13-32)35-19-23-38-40(29-35)56-48(54-38)44-15-11-27-60(44)50(63)46(31(3)4)58-52(65)67-6/h7-9,12-13,16-23,28-31,41-46H,10-11,14-15,24-27H2,1-6H3,(H,53,55)(H,54,56)(H,57,64)(H,58,65)/t41-,42-,43+,44+,45+,46+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0750	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453109 (CHEMBL4205352) Show SMILES CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C57H66F4N10O8/c1-30(76-3)49(66-56(74)78-5)54(72)69-20-10-14-47(69)52-62-41-26-35(37(58)28-43(41)64-52)45-16-17-46(71(45)34-24-39(60)51(40(61)25-34)68-22-18-33(19-23-68)32-12-8-7-9-13-32)36-27-42-44(29-38(36)59)65-53(63-42)48-15-11-21-70(48)55(73)50(31(2)77-4)67-57(75)79-6/h7-9,12-13,24-31,33,45-50H,10-11,14-23H2,1-6H3,(H,62,64)(H,63,65)(H,66,74)(H,67,75)/t30-,31-,45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00300	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days by luciferase reporter gene assa...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453107 (CHEMBL4215241) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(Cl)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H56ClN9O6/c1-25(2)39(52-45(59)61-5)43(57)54-21-7-9-37(54)41-48-31-17-11-27(23-33(31)50-41)35-19-20-36(56(35)30-15-13-29(47)14-16-30)28-12-18-32-34(24-28)51-42(49-32)38-10-8-22-55(38)44(58)40(26(3)4)53-46(60)62-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,48,50)(H,49,51)(H,52,59)(H,53,60)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00700	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days by luciferase reporter gene assa...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453110 (CHEMBL3127327) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@H]1CC[C@@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 |r| Show InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40+,41+,42+,43+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.136	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days by luciferase reporter gene assay				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453111 (CHEMBL4208073) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(N2CCCCC2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C51H65FN10O6/c1-29(2)44(57-50(65)67-5)48(63)60-24-10-12-42(60)46-53-35-17-14-31(26-37(35)55-46)39-20-21-40(62(39)33-16-19-41(34(52)28-33)59-22-8-7-9-23-59)32-15-18-36-38(27-32)56-47(54-36)43-13-11-25-61(43)49(64)45(30(3)4)58-51(66)68-6/h14-19,26-30,39-40,42-45H,7-13,20-25H2,1-6H3,(H,53,55)(H,54,56)(H,57,65)(H,58,66)/t39-,40-,42+,43+,44+,45+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0480	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453112 (ABT-267 | CHEBI:85183 | Ombitasvir) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 |r| Show InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00430	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2b assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453113 (CHEMBL4210254) Show SMILES COC(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C1CCOCC1 |r| Show InChI InChI=1S/C61H70F4N10O8/c1-80-60(78)70-53(36-16-24-82-25-17-36)58(76)73-20-6-10-51(73)56-66-45-30-39(41(62)32-47(45)68-56)49-12-13-50(75(49)38-28-43(64)55(44(65)29-38)72-22-14-35(15-23-72)34-8-4-3-5-9-34)40-31-46-48(33-42(40)63)69-57(67-46)52-11-7-21-74(52)59(77)54(71-61(79)81-2)37-18-26-83-27-19-37/h3-5,8-9,28-33,35-37,49-54H,6-7,10-27H2,1-2H3,(H,66,68)(H,67,69)(H,70,78)(H,71,79)/t49-,50-,51+,52+,53+,54+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0110	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 3a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453114 (CHEMBL4211348) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0130	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 4a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair

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