Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'tonn' and Initial = 'gr'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as unbound inhibitor concentration required for half maximal enz...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as unbound inhibitor concentration required for half maximal ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS analy...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS an...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by 10-fold dilution a...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by 10-fold dilution a...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181735 (5-(5-[2-chloro-5-(trifluoromethyl)phenyl]-furan-2-...) Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)o1 |w:15.15| Show InChI InChI=1S/C21H12ClF3N2O4S3/c22-16-8-6-12(21(23,24)25)10-15(16)17-9-7-13(31-17)11-18-19(28)27(20(32)33-18)26-34(29,30)14-4-2-1-3-5-14/h1-11,26H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181696 (5-(2,4,5-trifluorobenzylidene)-3-(benzenesulfonyla...) Show SMILES Fc1cc(F)c(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1F |w:6.5| Show InChI InChI=1S/C16H9F3N2O3S3/c17-11-8-13(19)12(18)6-9(11)7-14-15(22)21(16(25)26-14)20-27(23,24)10-4-2-1-3-5-10/h1-8,20H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181720 (5-(3,4-dibromobenzylidene)-3-(benzenesulfonylamino...) Show SMILES Brc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1Br |w:5.4| Show InChI InChI=1S/C16H10Br2N2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181684 (5-(2-methyl-3-phenyl-allylidene)-3-(benzenesulfony...) Show SMILES CC(C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=Cc1ccccc1 |w:2.1,20.22| Show InChI InChI=1S/C19H16N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-13,20H,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181685 (CHEMBL202580 | N-(5-(3,4-dichlorobenzylidene)-4-ox...) Show SMILES Clc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1Cl |w:5.4| Show InChI InChI=1S/C16H10Cl2N2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181692 (5-(3,4-dichlorobenzylidene)-3-(2-thiophenesulfonyl...) Show SMILES Clc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3cccs3)C2=O)cc1Cl |w:5.4| Show InChI InChI=1S/C14H8Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-7,17H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181693 (5-(3,4-dichlorobenzylidene)-3-(2-fluorobenzenesulf...) Show SMILES OC1N(NS(=O)(=O)c2ccccc2F)C(=S)S\C1=C/c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H11Cl2FN2O3S3/c17-10-6-5-9(7-11(10)18)8-13-15(22)21(16(25)26-13)20-27(23,24)14-4-2-1-3-12(14)19/h1-8,15,20,22H/b13-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181705 (5-(3,4-dichlorobenzylidene)-3-(4-chlorobenzenesulf...) Show SMILES OC1N(NS(=O)(=O)c2ccc(Cl)cc2)C(=S)S\C1=C/c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H11Cl3N2O3S3/c17-10-2-4-11(5-3-10)27(23,24)20-21-15(22)14(26-16(21)25)8-9-1-6-12(18)13(19)7-9/h1-8,15,20,22H/b14-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181726 (5-(3,4-dichlorophenyl-1-ethylene)-3-(benzenesulfon...) Show SMILES Oc1c(sc(=S)n1NS(=O)(=O)c1ccccc1)C(=C)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H12Cl2N2O3S3/c1-10(11-7-8-13(18)14(19)9-11)15-16(22)21(17(25)26-15)20-27(23,24)12-5-3-2-4-6-12/h2-9,20,22H,1H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181701 (5-(3,4-dichlorobenzylidene)-3-(4-methylbenzenesulf...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NN1C(O)\C(SC1=S)=C\c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O3S3/c1-10-2-5-12(6-3-10)27(23,24)20-21-16(22)15(26-17(21)25)9-11-4-7-13(18)14(19)8-11/h2-9,16,20,22H,1H3/b15-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181713 (5-(3,4-dichlorobenzylidene)-3-(butylsulfonylamino)...) Show SMILES CCCCS(=O)(=O)NN1C(=S)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O |w:13.13| Show InChI InChI=1S/C14H14Cl2N2O3S3/c1-2-3-6-24(20,21)17-18-13(19)12(23-14(18)22)8-9-4-5-10(15)11(16)7-9/h4-5,7-8,17H,2-3,6H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181722 (5-(4-bromobenzylidene)-3-(benzenesulfonylamino)-4-...) Show SMILES Brc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:5.4| Show InChI InChI=1S/C16H11BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181700 (5-(3,4-dichlorobenzylidene)-3-(4-fluorobenzenesulf...) Show SMILES OC1N(NS(=O)(=O)c2ccc(F)cc2)C(=S)S\C1=C/c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H11Cl2FN2O3S3/c17-12-6-1-9(7-13(12)18)8-14-15(22)21(16(25)26-14)20-27(23,24)11-4-2-10(19)3-5-11/h1-8,15,20,22H/b14-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181725 (5-(3,4-dichlorobenzylidene)-3-(3-methoxybenzenesul...) Show SMILES COc1cccc(c1)S(=O)(=O)NN1C(O)\C(SC1=S)=C\c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O4S3/c1-25-11-3-2-4-12(9-11)28(23,24)20-21-16(22)15(27-17(21)26)8-10-5-6-13(18)14(19)7-10/h2-9,16,20,22H,1H3/b15-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181686 (5-(4-cyanobenzylidene)-3-(benzenesulfonylamino)-4-...) Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)SC1=Cc1ccc(cc1)C#N |w:17.19| Show InChI InChI=1S/C17H11N3O3S3/c18-11-13-8-6-12(7-9-13)10-15-16(21)20(17(24)25-15)19-26(22,23)14-4-2-1-3-5-14/h1-10,19H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181695 (5-(4-nitrobenzylidene)-3-amino-4-oxo-2-thionothiaz...) Show SMILES NN1C(=S)S\C(=C/c2ccc(cc2)[N+]([O-])=O)C1=O Show InChI InChI=1S/C10H7N3O3S2/c11-12-9(14)8(18-10(12)17)5-6-1-3-7(4-2-6)13(15)16/h1-5H,11H2/b8-5-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181717 (5-(3,4,5-trifluorobenzylidene)-3-(benzenesulfonyla...) Show SMILES Fc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc(F)c1F |w:4.3| Show InChI InChI=1S/C16H9F3N2O3S3/c17-11-6-9(7-12(18)14(11)19)8-13-15(22)21(16(25)26-13)20-27(23,24)10-4-2-1-3-5-10/h1-8,20H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181714 (5-(4-trifluoromethylbenzylidene)-3-(benzenesulfony...) Show SMILES FC(F)(F)c1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:8.7| Show InChI InChI=1S/C17H11F3N2O3S3/c18-17(19,20)12-8-6-11(7-9-12)10-14-15(23)22(16(26)27-14)21-28(24,25)13-4-2-1-3-5-13/h1-10,21H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181694 (5-(4-chloro-3-fluorobenzylidene)-3-(benzenesulfony...) Show SMILES Fc1cc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1Cl |w:4.3| Show InChI InChI=1S/C16H10ClFN2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181699 (5-(4-fluorobenzylidene)-3-(benzenesulfonylamino)-4...) Show SMILES Fc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:5.4| Show InChI InChI=1S/C16H11FN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181687 (5-(4-chlorobenzylidene)-3-(benzenesulfonylamino)-4...) Show SMILES Clc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:5.4| Show InChI InChI=1S/C16H11ClN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-10,18H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181690 (5-(2,5-difluorobenzylidene)-3-(benzenesulfonylamin...) Show SMILES Fc1ccc(F)c(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 |w:7.6| Show InChI InChI=1S/C16H10F2N2O3S3/c17-11-6-7-13(18)10(8-11)9-14-15(21)20(16(24)25-14)19-26(22,23)12-4-2-1-3-5-12/h1-9,19H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181704 (5-(2,3,4-trifluorobenzylidene)-3-(benzenesulfonyla...) Show SMILES Fc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(F)c1F |w:5.4| Show InChI InChI=1S/C16H9F3N2O3S3/c17-11-7-6-9(13(18)14(11)19)8-12-15(22)21(16(25)26-12)20-27(23,24)10-4-2-1-3-5-10/h1-8,20H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181710 (5-(3,4-dichlorobenzylidene)-3-(methanesulfonylamin...) Show SMILES CS(=O)(=O)NN1C(=S)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O |w:10.10| Show InChI InChI=1S/C11H8Cl2N2O3S3/c1-21(17,18)14-15-10(16)9(20-11(15)19)5-6-2-3-7(12)8(13)4-6/h2-5,14H,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181706 (5-(4-nitrobenzylidene)-3-(benzenesulfonylamino)-4-...) Show SMILES [O-][N+](=O)c1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:7.6| Show InChI InChI=1S/C16H11N3O5S3/c20-15-14(10-11-6-8-12(9-7-11)19(21)22)26-16(25)18(15)17-27(23,24)13-4-2-1-3-5-13/h1-10,17H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361983 (CHEMBL1939697) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by 10-fold dilution a...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211114 ((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211114 ((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by substrate addition by...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181707 (5-(2-naphthylmethylene)-3-(benzenesulfonylamino)-4...) Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)SC1=Cc1ccc2ccccc2c1 |w:17.19| Show InChI InChI=1S/C20H14N2O3S3/c23-19-18(13-14-10-11-15-6-4-5-7-16(15)12-14)27-20(26)22(19)21-28(24,25)17-8-2-1-3-9-17/h1-13,21H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181689 (5-(2,4-difluorobenzylidene)-3-(benzenesulfonylamin...) Show SMILES Fc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(F)c1 |w:5.4| Show InChI InChI=1S/C16H10F2N2O3S3/c17-11-7-6-10(13(18)9-11)8-14-15(21)20(16(24)25-14)19-26(22,23)12-4-2-1-3-5-12/h1-9,19H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181708 (5-(3-methoxybenzylidene)-3-(benzenesulfonylamino)-...) Show SMILES COc1cccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 |w:7.6| Show InChI InChI=1S/C17H14N2O4S3/c1-23-13-7-5-6-12(10-13)11-15-16(20)19(17(24)25-15)18-26(21,22)14-8-3-2-4-9-14/h2-11,18H,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181697 (5-(4-methoxybenzylidene)-3-(benzenesulfonylamino)-...) Show SMILES COc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1 |w:6.5| Show InChI InChI=1S/C17H14N2O4S3/c1-23-13-9-7-12(8-10-13)11-15-16(20)19(17(24)25-15)18-26(21,22)14-5-3-2-4-6-14/h2-11,18H,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211114 ((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211114 ((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition by...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181715 (5-(3,4-dichlorobenzylidene)-3-(4-methoxybenzenesul...) Show SMILES COc1ccc(cc1)S(=O)(=O)NN1C(O)\C(SC1=S)=C\c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O4S3/c1-25-11-3-5-12(6-4-11)28(23,24)20-21-16(22)15(27-17(21)26)9-10-2-7-13(18)14(19)8-10/h2-9,16,20,22H,1H3/b15-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181691 (5-(2-fluorobenzylidene)-3-(benzenesulfonylamino)-4...) Show SMILES Fc1ccccc1C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O |w:7.7| Show InChI InChI=1S/C16H11FN2O3S3/c17-13-9-5-4-6-11(13)10-14-15(20)19(16(23)24-14)18-25(21,22)12-7-2-1-3-8-12/h1-10,18H	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181727 (5-(4-fluorobenzylidene)-3-amino-4-oxo-2-thionothia...) Show SMILES NN1C(=S)S\C(=C/c2ccc(F)cc2)C1=O Show InChI InChI=1S/C10H7FN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211114 ((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181709 (5-(4-cyanobenzylidene)-3-amino-4-oxo-2-thionothiaz...) Show SMILES NN1C(=S)S\C(=C/c2ccc(cc2)C#N)C1=O Show InChI InChI=1S/C11H7N3OS2/c12-6-8-3-1-7(2-4-8)5-9-10(15)14(13)11(16)17-9/h1-5H,13H2/b9-5-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50211114 ((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and ...				Drug Metab Dispos 40: 1429-40 (2012) Article DOI: 10.1124/dmd.112.045708 BindingDB Entry DOI: 10.7270/Q23N254Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181719 (5-(3,4-dimethylbenzylidene)-3-(benzenesulfonylamin...) Show SMILES Cc1ccc(C=C2SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1C |w:5.4| Show InChI InChI=1S/C18H16N2O3S3/c1-12-8-9-14(10-13(12)2)11-16-17(21)20(18(24)25-16)19-26(22,23)15-6-4-3-5-7-15/h3-11,19H,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HCV delta 21 NS5b RNA polymerase				J Med Chem 49: 1034-46 (2006) Article DOI: 10.1021/jm050859x BindingDB Entry DOI: 10.7270/Q2CJ8D3W
					More data for this Ligand-Target Pair

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