Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'thauvette' and Initial = 'l'   

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
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193054 (3-cyclohexyl-2-(furan-3-yl)-1-methyl-1H-indole-6-c...) Show SMILES Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(cc12)C(O)=O Show InChI InChI=1S/C20H21NO3/c1-21-17-11-14(20(22)23)7-8-16(17)18(13-5-3-2-4-6-13)19(21)15-9-10-24-12-15/h7-13H,2-6H2,1H3,(H,22,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193050 (3-cyclopentyl-2-(furan-3-yl)-1-methyl-1H-indole-6-...) Show SMILES Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(cc12)C(O)=O Show InChI InChI=1S/C19H19NO3/c1-20-16-10-13(19(21)22)6-7-15(16)17(12-4-2-3-5-12)18(20)14-8-9-23-11-14/h6-12H,2-5H2,1H3,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193059 (3-cyclopentyl-2-(furan-3-yl)-1H-indole-6-carboxyli...) Show SMILES OC(=O)c1ccc2c(C3CCCC3)c([nH]c2c1)-c1ccoc1 Show InChI InChI=1S/C18H17NO3/c20-18(21)12-5-6-14-15(9-12)19-17(13-7-8-22-10-13)16(14)11-3-1-2-4-11/h5-11,19H,1-4H2,(H,20,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193060 (3-cyclohexyl-2-(furan-3-yl)-1H-indole-6-carboxylic...) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c([nH]c2c1)-c1ccoc1 Show InChI InChI=1S/C19H19NO3/c21-19(22)13-6-7-15-16(10-13)20-18(14-8-9-23-11-14)17(15)12-4-2-1-3-5-12/h6-12,20H,1-5H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162092 (3-Cyclohexyl-1-methyl-2-phenyl-1H-indole-6-carboxy...) Show SMILES Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C22H23NO2/c1-23-19-14-17(22(24)25)12-13-18(19)20(15-8-4-2-5-9-15)21(23)16-10-6-3-7-11-16/h3,6-7,10-15H,2,4-5,8-9H2,1H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193057 (1-cyclohexyl-2-(furan-3-yl)-3-methyl-1H-indole-5-c...) Show SMILES Cc1c(-c2ccoc2)n(C2CCCCC2)c2ccc(cc12)C(O)=O Show InChI InChI=1S/C20H21NO3/c1-13-17-11-14(20(22)23)7-8-18(17)21(16-5-3-2-4-6-16)19(13)15-9-10-24-12-15/h7-12,16H,2-6H2,1H3,(H,22,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50162094 (3-Cyclohexyl-2-phenyl-1H-indole-6-carboxylic acid ...) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c([nH]c2c1)-c1ccccc1 Show InChI InChI=1S/C21H21NO2/c23-21(24)16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h2,5-6,9-14,22H,1,3-4,7-8H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193069 (3-cyclohexyl-2-(furan-3-yl)-1-methyl-1H-pyrrolo[2,...) Show SMILES Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(nc12)C(O)=O Show InChI InChI=1S/C19H20N2O3/c1-21-17(13-9-10-24-11-13)16(12-5-3-2-4-6-12)14-7-8-15(19(22)23)20-18(14)21/h7-12H,2-6H2,1H3,(H,22,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193063 (3-cyclopentyl-2-(furan-3-yl)-7-hydroxy-1-methyl-1H...) Show SMILES Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(O)=O)c(O)c12 Show InChI InChI=1S/C19H19NO4/c1-20-16(12-8-9-24-10-12)15(11-4-2-3-5-11)13-6-7-14(19(22)23)18(21)17(13)20/h6-11,21H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193055 (3-cyclopentyl-2-(furan-3-yl)benzo[b]thiophene-6-ca...) Show SMILES OC(=O)c1ccc2c(C3CCCC3)c(sc2c1)-c1ccoc1 Show InChI InChI=1S/C18H16O3S/c19-18(20)12-5-6-14-15(9-12)22-17(13-7-8-21-10-13)16(14)11-3-1-2-4-11/h5-11H,1-4H2,(H,19,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193052 (3-cyclohexyl-1-methyl-2-phenyl-1H-pyrrolo[2,3-b]py...) Show SMILES Cn1c(c(C2CCCCC2)c2ccc(nc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C21H22N2O2/c1-23-19(15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)16-12-13-17(21(24)25)22-20(16)23/h3,6-7,10-14H,2,4-5,8-9H2,1H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193064 (3-cyclopentyl-2-(furan-3-yl)benzofuran-6-carboxyli...) Show SMILES OC(=O)c1ccc2c(C3CCCC3)c(oc2c1)-c1ccoc1 Show InChI InChI=1S/C18H16O4/c19-18(20)12-5-6-14-15(9-12)22-17(13-7-8-21-10-13)16(14)11-3-1-2-4-11/h5-11H,1-4H2,(H,19,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193062 (3-cyclohexyl-1-methyl-2-(pyridin-2-yl)-1H-indole-6...) Show SMILES Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccccn1 Show InChI InChI=1S/C21H22N2O2/c1-23-18-13-15(21(24)25)10-11-16(18)19(14-7-3-2-4-8-14)20(23)17-9-5-6-12-22-17/h5-6,9-14H,2-4,7-8H2,1H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50370756 (CHEMBL1789968) Show SMILES Cc1c(-c2ccoc2)n(C2CCCC2)c2cc(ccc12)C(O)=O Show InChI InChI=1S/C19H19NO3/c1-12-16-7-6-13(19(21)22)10-17(16)20(15-4-2-3-5-15)18(12)14-8-9-23-11-14/h6-11,15H,2-5H2,1H3,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193053 (1-cyclohexyl-3-methyl-2-phenyl-1H-indole-5-carboxy...) Show SMILES Cc1c(-c2ccccc2)n(C2CCCCC2)c2ccc(cc12)C(O)=O Show InChI InChI=1S/C22H23NO2/c1-15-19-14-17(22(24)25)12-13-20(19)23(18-10-6-3-7-11-18)21(15)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,18H,3,6-7,10-11H2,1H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193067 (3-cyclohexyl-2-(pyridin-2-yl)-1H-indole-6-carboxyl...) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c([nH]c2c1)-c1ccccn1 Show InChI InChI=1S/C20H20N2O2/c23-20(24)14-9-10-15-17(12-14)22-19(16-8-4-5-11-21-16)18(15)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193051 (7-chloro-3-cyclopentyl-2-(furan-3-yl)-1-methyl-1H-...) Show SMILES Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(O)=O)c(Cl)c12 Show InChI InChI=1S/C19H18ClNO3/c1-21-17(12-8-9-24-10-12)15(11-4-2-3-5-11)13-6-7-14(19(22)23)16(20)18(13)21/h6-11H,2-5H2,1H3,(H,22,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193066 (3-cyclopentyl-2-(furan-3-yl)-7-methoxy-1-methyl-1H...) Show SMILES COc1c(ccc2c(C3CCCC3)c(-c3ccoc3)n(C)c12)C(O)=O Show InChI InChI=1S/C20H21NO4/c1-21-17(13-9-10-25-11-13)16(12-5-3-4-6-12)14-7-8-15(20(22)23)19(24-2)18(14)21/h7-12H,3-6H2,1-2H3,(H,22,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50158528 ((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1 |r| Show InChI InChI=1S/C31H29N5O3S/c37-23-7-8-25-24(14-23)21(15-32-25)13-26(28-17-40-18-33-28)35-31(38)19-6-9-29-27(12-19)34-30(20-10-11-39-16-20)36(29)22-4-2-1-3-5-22/h6-12,14-18,22,26,32,37H,1-5,13H2,(H,35,38)/t26-/m0/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	440	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193058 (3-cyclopentyl-2-(furan-3-yl)-7-(methoxycarbonyl)-1...) Show SMILES COC(=O)c1c(ccc2c(C3CCCC3)c(-c3ccoc3)n(C)c12)C(O)=O Show InChI InChI=1S/C21H21NO5/c1-22-18(13-9-10-27-11-13)16(12-5-3-4-6-12)14-7-8-15(20(23)24)17(19(14)22)21(25)26-2/h7-12H,3-6H2,1-2H3,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193049 (1-cyclohexyl-3-methyl-2-(pyridin-2-yl)-1H-indole-5...) Show SMILES Cc1c(-c2ccccn2)n(C2CCCCC2)c2ccc(cc12)C(O)=O Show InChI InChI=1S/C21H22N2O2/c1-14-17-13-15(21(24)25)10-11-19(17)23(16-7-3-2-4-8-16)20(14)18-9-5-6-12-22-18/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50433324 (CHEMBL2375371) Show SMILES OC(=O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F Show InChI InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50433324 (CHEMBL2375371) Show SMILES OC(=O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F Show InChI InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50137488 (1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carb...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C18H18N2O3/c21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50433325 (CHEMBL2376577) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193071 (1-cyclopentyl-2-(furan-3-yl)-1H-benzo[d]imidazole-...) Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C17H16N2O3/c20-17(21)11-5-6-15-14(9-11)18-16(12-7-8-22-10-12)19(15)13-3-1-2-4-13/h5-10,13H,1-4H2,(H,20,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50158528 ((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1 |r| Show InChI InChI=1S/C31H29N5O3S/c37-23-7-8-25-24(14-23)21(15-32-25)13-26(28-17-40-18-33-28)35-31(38)19-6-9-29-27(12-19)34-30(20-10-11-39-16-20)36(29)22-4-2-1-3-5-22/h6-12,14-18,22,26,32,37H,1-5,13H2,(H,35,38)/t26-/m0/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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50158528 ((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1 |r| Show InChI InChI=1S/C31H29N5O3S/c37-23-7-8-25-24(14-23)21(15-32-25)13-26(28-17-40-18-33-28)35-31(38)19-6-9-29-27(12-19)34-30(20-10-11-39-16-20)36(29)22-4-2-1-3-5-22/h6-12,14-18,22,26,32,37H,1-5,13H2,(H,35,38)/t26-/m0/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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50137480 (1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidazole-5-ca...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1 Show InChI InChI=1S/C19H19N3O2/c23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50433325 (CHEMBL2376577) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50433326 (CHEMBL2376562) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50137479 (1-Cyclohexyl-2-phenyl-1H-benzoimidazole-5-carboxyl...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H20N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50158528 ((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1 |r| Show InChI InChI=1S/C31H29N5O3S/c37-23-7-8-25-24(14-23)21(15-32-25)13-26(28-17-40-18-33-28)35-31(38)19-6-9-29-27(12-19)34-30(20-10-11-39-16-20)36(29)22-4-2-1-3-5-22/h6-12,14-18,22,26,32,37H,1-5,13H2,(H,35,38)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50313988 (3-(4-(1-(1-cyclohexyl-2-(pyridin-2-yl)-1H-benzo[d]...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H35N5O4/c40-30(41)18-13-23-11-15-25(16-12-23)36-33(43)34(19-5-6-20-34)38-32(42)24-14-17-29-28(22-24)37-31(27-10-4-7-21-35-27)39(29)26-8-2-1-3-9-26/h4,7,10-18,21-22,26H,1-3,5-6,8-9,19-20H2,(H,36,43)(H,38,42)(H,40,41)/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50193068 (3-cyclopentyl-2-(furan-3-yl)-1-methyl-1H-indole-6,...) Show SMILES Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(C(O)=O)c(C(O)=O)c12 Show InChI InChI=1S/C20H19NO5/c1-21-17(12-8-9-26-10-12)15(11-4-2-3-5-11)13-6-7-14(19(22)23)16(18(13)21)20(24)25/h6-11H,2-5H2,1H3,(H,22,23)(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA				Bioorg Med Chem Lett 16: 4987-93 (2006) Checked by Author Article DOI: 10.1016/j.bmcl.2006.07.074 BindingDB Entry DOI: 10.7270/Q27S7PJT
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50313988 (3-(4-(1-(1-cyclohexyl-2-(pyridin-2-yl)-1H-benzo[d]...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H35N5O4/c40-30(41)18-13-23-11-15-25(16-12-23)36-33(43)34(19-5-6-20-34)38-32(42)24-14-17-29-28(22-24)37-31(27-10-4-7-21-35-27)39(29)26-8-2-1-3-9-26/h4,7,10-18,21-22,26H,1-3,5-6,8-9,19-20H2,(H,36,43)(H,38,42)(H,40,41)/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50313987 (3-(4-(1-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]im...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)cc1 Show InChI InChI=1S/C33H34N4O5/c38-29(39)15-10-22-8-12-25(13-9-22)34-32(41)33(17-4-5-18-33)36-31(40)23-11-14-28-27(20-23)35-30(24-16-19-42-21-24)37(28)26-6-2-1-3-7-26/h8-16,19-21,26H,1-7,17-18H2,(H,34,41)(H,36,40)(H,38,39)/b15-10+	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	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50433326 (CHEMBL2376562) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50313987 (3-(4-(1-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]im...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)cc1 Show InChI InChI=1S/C33H34N4O5/c38-29(39)15-10-22-8-12-25(13-9-22)34-32(41)33(17-4-5-18-33)36-31(40)23-11-14-28-27(20-23)35-30(24-16-19-42-21-24)37(28)26-6-2-1-3-7-26/h8-16,19-21,26H,1-7,17-18H2,(H,34,41)(H,36,40)(H,38,39)/b15-10+	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	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50313988 (3-(4-(1-(1-cyclohexyl-2-(pyridin-2-yl)-1H-benzo[d]...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H35N5O4/c40-30(41)18-13-23-11-15-25(16-12-23)36-33(43)34(19-5-6-20-34)38-32(42)24-14-17-29-28(22-24)37-31(27-10-4-7-21-35-27)39(29)26-8-2-1-3-9-26/h4,7,10-18,21-22,26H,1-3,5-6,8-9,19-20H2,(H,36,43)(H,38,42)(H,40,41)/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50313987 (3-(4-(1-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]im...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)cc1 Show InChI InChI=1S/C33H34N4O5/c38-29(39)15-10-22-8-12-25(13-9-22)34-32(41)33(17-4-5-18-33)36-31(40)23-11-14-28-27(20-23)35-30(24-16-19-42-21-24)37(28)26-6-2-1-3-7-26/h8-16,19-21,26H,1-7,17-18H2,(H,34,41)(H,36,40)(H,38,39)/b15-10+	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50313988 (3-(4-(1-(1-cyclohexyl-2-(pyridin-2-yl)-1H-benzo[d]...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H35N5O4/c40-30(41)18-13-23-11-15-25(16-12-23)36-33(43)34(19-5-6-20-34)38-32(42)24-14-17-29-28(22-24)37-31(27-10-4-7-21-35-27)39(29)26-8-2-1-3-9-26/h4,7,10-18,21-22,26H,1-3,5-6,8-9,19-20H2,(H,36,43)(H,38,42)(H,40,41)/b18-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50313987 (3-(4-(1-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]im...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)cc1 Show InChI InChI=1S/C33H34N4O5/c38-29(39)15-10-22-8-12-25(13-9-22)34-32(41)33(17-4-5-18-33)36-31(40)23-11-14-28-27(20-23)35-30(24-16-19-42-21-24)37(28)26-6-2-1-3-7-26/h8-16,19-21,26H,1-7,17-18H2,(H,34,41)(H,36,40)(H,38,39)/b15-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50313988 (3-(4-(1-(1-cyclohexyl-2-(pyridin-2-yl)-1H-benzo[d]...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H35N5O4/c40-30(41)18-13-23-11-15-25(16-12-23)36-33(43)34(19-5-6-20-34)38-32(42)24-14-17-29-28(22-24)37-31(27-10-4-7-21-35-27)39(29)26-8-2-1-3-9-26/h4,7,10-18,21-22,26H,1-3,5-6,8-9,19-20H2,(H,36,43)(H,38,42)(H,40,41)/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50433326 (CHEMBL2376562) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50158528 ((S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H...) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1 |r| Show InChI InChI=1S/C31H29N5O3S/c37-23-7-8-25-24(14-23)21(15-32-25)13-26(28-17-40-18-33-28)35-31(38)19-6-9-29-27(12-19)34-30(20-10-11-39-16-20)36(29)22-4-2-1-3-5-22/h6-12,14-18,22,26,32,37H,1-5,13H2,(H,35,38)/t26-/m0/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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50313987 (3-(4-(1-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]im...) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)cc1 Show InChI InChI=1S/C33H34N4O5/c38-29(39)15-10-22-8-12-25(13-9-22)34-32(41)33(17-4-5-18-33)36-31(40)23-11-14-28-27(20-23)35-30(24-16-19-42-21-24)37(28)26-6-2-1-3-7-26/h8-16,19-21,26H,1-7,17-18H2,(H,34,41)(H,36,40)(H,38,39)/b15-10+	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 20: 1825-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.003 BindingDB Entry DOI: 10.7270/Q28G8KTR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50433326 (CHEMBL2376562) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50433325 (CHEMBL2376577) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50433325 (CHEMBL2376577) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 2585-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.110 BindingDB Entry DOI: 10.7270/Q2TH8P2F
					More data for this Ligand-Target Pair

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