Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'gillard' and Initial = 'j'   

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
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50025103 (CHEMBL41301 | Sodium; 4-{4-[3-(4-acetyl-3-hydroxy-...) Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(cc1)C(O)[C@@H](C)CC([O-])=O)C(C)=O Show InChI InChI=1S/C25H32O6S/c1-4-6-21-22(12-11-20(17(3)26)25(21)30)31-13-5-14-32-19-9-7-18(8-10-19)24(29)16(2)15-23(27)28/h7-12,16,24,29-30H,4-6,13-15H2,1-3H3,(H,27,28)/p-1/t16-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of radioligand [3H]-LTD4 binding to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes				J Med Chem 29: 1573-6 (1986) BindingDB Entry DOI: 10.7270/Q21G0K8C
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50025103 (CHEMBL41301 | Sodium; 4-{4-[3-(4-acetyl-3-hydroxy-...) Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(cc1)C(O)[C@@H](C)CC([O-])=O)C(C)=O Show InChI InChI=1S/C25H32O6S/c1-4-6-21-22(12-11-20(17(3)26)25(21)30)31-13-5-14-32-19-9-7-18(8-10-19)24(29)16(2)15-23(27)28/h7-12,16,24,29-30H,4-6,13-15H2,1-3H3,(H,27,28)/p-1/t16-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of radioligand [3H]-LTC4 binding to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes				J Med Chem 29: 1573-6 (1986) BindingDB Entry DOI: 10.7270/Q21G0K8C
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50029559 (2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...) Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein				Bioorg Med Chem Lett 2: 1395-1398 (1992) Article DOI: 10.1016/S0960-894X(00)80520-X BindingDB Entry DOI: 10.7270/Q2028RGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50280218 (CHEMBL281308 | {1-Phenethyl-4-phenyl-1-[4-(quinoli...) Show SMILES OC(=O)CSC(CCCc1ccccc1)(CCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C36H35NO3S/c38-35(39)27-41-36(25-23-29-12-5-2-6-13-29,24-9-14-28-10-3-1-4-11-28)31-18-21-33(22-19-31)40-26-32-20-17-30-15-7-8-16-34(30)37-32/h1-8,10-13,15-22H,9,14,23-27H2,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein (FLAP)				Bioorg Med Chem Lett 2: 1395-1398 (1992) Article DOI: 10.1016/S0960-894X(00)80520-X BindingDB Entry DOI: 10.7270/Q2028RGQ
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142042 ((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NC(=O)C(O)=O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C31H29N5O7/c37-28(35-25(30(39)40)13-19-15-32-23-8-7-20(14-22(19)23)33-29(38)31(41)42)17-6-9-26-24(12-17)34-27(18-10-11-43-16-18)36(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,32H,1-5,13H2,(H,33,38)(H,35,37)(H,39,40)(H,41,42)/t25-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000845 (4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...) Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-7-4-8-22(16-21)26-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro potency against human 5-Lipoxygenase				J Med Chem 37: 512-8 (1994) BindingDB Entry DOI: 10.7270/Q2J965FV
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50040423 (7-(3-(4-methoxytetrahydro-2H-pyran-4-yl)benzyloxy)...) Show SMILES COC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1 Show InChI InChI=1S/C31H28O5/c1-33-31(12-14-34-15-13-31)24-9-5-6-21(16-24)19-35-25-10-11-26-23(17-25)18-27-28(20-36-30(27)32)29(26)22-7-3-2-4-8-22/h2-11,16-18H,12-15,19-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro potency against human 5-Lipoxygenase				J Med Chem 37: 512-8 (1994) BindingDB Entry DOI: 10.7270/Q2J965FV
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142047 ((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)-c1nnn[nH]1)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C30H28N8O4/c39-29(33-25(30(40)41)14-20-15-31-23-8-6-17(12-22(20)23)27-34-36-37-35-27)18-7-9-26-24(13-18)32-28(19-10-11-42-16-19)38(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,39)(H,40,41)(H,34,35,36,37)/t25-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair
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)	BDBM50142043 ((2S)-3-(5-(carboxymethoxy)-1H-indol-3-yl)-2-(1-cyc...) Show SMILES OC(=O)COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1 Show InChI InChI=1S/C31H30N4O7/c36-28(37)17-42-22-7-8-24-23(14-22)20(15-32-24)13-26(31(39)40)34-30(38)18-6-9-27-25(12-18)33-29(19-10-11-41-16-19)35(27)21-4-2-1-3-5-21/h6-12,14-16,21,26,32H,1-5,13,17H2,(H,34,38)(H,36,37)(H,39,40)/t26-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD 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
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50040419 (7-[3-(4-Methoxy-tetrahydro-pyran-4-yl)-phenoxymeth...) Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1 Show InChI InChI=1S/C31H28O5/c1-33-31(12-14-34-15-13-31)24-8-5-9-25(18-24)35-19-21-10-11-26-23(16-21)17-27-28(20-36-30(27)32)29(26)22-6-3-2-4-7-22/h2-11,16-18H,12-15,19-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro potency against human 5-Lipoxygenase				J Med Chem 37: 512-8 (1994) BindingDB Entry DOI: 10.7270/Q2J965FV
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142041 (3-{(S)-2-Carboxy-2-[(1-cyclohexyl-2-furan-3-yl-1H-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)C(O)=O)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C30H28N4O6/c35-28(33-25(30(38)39)14-20-15-31-23-8-6-18(29(36)37)12-22(20)23)17-7-9-26-24(13-17)32-27(19-10-11-40-16-19)34(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,31H,1-5,14H2,(H,33,35)(H,36,37)(H,38,39)/t25-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					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
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein (FLAP)				Bioorg Med Chem Lett 2: 1395-1398 (1992) Article DOI: 10.1016/S0960-894X(00)80520-X BindingDB Entry DOI: 10.7270/Q2028RGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175297 (CHEMBL3810245) Show SMILES CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31)	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	31	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)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142056 ((S)-3-(5-Carbamoyl-1H-indol-3-yl)-2-[(1-cyclohexyl...) Show SMILES NC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H29N5O5/c31-27(36)17-6-8-23-22(12-17)20(15-32-23)14-25(30(38)39)34-29(37)18-7-9-26-24(13-18)33-28(19-10-11-40-16-19)35(26)21-4-2-1-3-5-21/h6-13,15-16,21,25,32H,1-5,14H2,(H2,31,36)(H,34,37)(H,38,39)/t25-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					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
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50040422 (7-[3-(1-Methoxy-1-thiazol-2-yl-propyl)-phenoxymeth...) Show SMILES CCC(OC)(c1nccs1)c1cccc(OCc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1 Show InChI InChI=1S/C32H27NO4S/c1-3-32(35-2,31-33-14-15-38-31)24-10-7-11-25(18-24)36-19-21-12-13-26-23(16-21)17-27-28(20-37-30(27)34)29(26)22-8-5-4-6-9-22/h4-18H,3,19-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro potency against human 5-Lipoxygenase				J Med Chem 37: 512-8 (1994) BindingDB Entry DOI: 10.7270/Q2J965FV
					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)	BDBM50142052 ((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C29H28N4O5/c34-21-7-8-23-22(14-21)19(15-30-23)13-25(29(36)37)32-28(35)17-6-9-26-24(12-17)31-27(18-10-11-38-16-18)33(26)20-4-2-1-3-5-20/h6-12,14-16,20,25,30,34H,1-5,13H2,(H,32,35)(H,36,37)/t25-/m0/s1	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 (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					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)	BDBM50142045 ((S)-3-(5-Acetylamino-1H-indol-3-yl)-2-[(1-cyclohex...) Show SMILES CC(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1 Show InChI InChI=1S/C31H31N5O5/c1-18(37)33-22-8-9-25-24(15-22)21(16-32-25)14-27(31(39)40)35-30(38)19-7-10-28-26(13-19)34-29(20-11-12-41-17-20)36(28)23-5-3-2-4-6-23/h7-13,15-17,23,27,32H,2-6,14H2,1H3,(H,33,37)(H,35,38)(H,39,40)/t27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					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)	BDBM50142053 ((S)-3-(5-Amino-1H-indol-3-yl)-2-[(1-cyclohexyl-2-f...) Show SMILES Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1 Show InChI InChI=1S/C29H29N5O4/c30-20-7-8-23-22(14-20)19(15-31-23)13-25(29(36)37)33-28(35)17-6-9-26-24(12-17)32-27(18-10-11-38-16-18)34(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,31H,1-5,13,30H2,(H,33,35)(H,36,37)/t25-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					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)	BDBM50142044 ((S)-3-[5-(1-Carboxy-1-methyl-ethoxy)-1H-indol-3-yl...) Show SMILES CC(C)(Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1)C(O)=O Show InChI InChI=1S/C33H34N4O7/c1-33(2,32(41)42)44-23-9-10-25-24(16-23)21(17-34-25)15-27(31(39)40)36-30(38)19-8-11-28-26(14-19)35-29(20-12-13-43-18-20)37(28)22-6-4-3-5-7-22/h8-14,16-18,22,27,34H,3-7,15H2,1-2H3,(H,36,38)(H,39,40)(H,41,42)/t27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142049 ((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...) Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H31N5O6S/c1-42(39,40)34-21-8-9-24-23(15-21)20(16-31-24)14-26(30(37)38)33-29(36)18-7-10-27-25(13-18)32-28(19-11-12-41-17-19)35(27)22-5-3-2-4-6-22/h7-13,15-17,22,26,31,34H,2-6,14H2,1H3,(H,33,36)(H,37,38)/t26-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM50085160 (CHEMBL32842 | L-674636 | {4-(4-Chloro-phenyl)-1-[4...) Show SMILES OC(=O)CSC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C28H26ClNO3S/c29-23-13-8-20(9-14-23)4-3-7-27(34-19-28(31)32)22-11-16-25(17-12-22)33-18-24-15-10-21-5-1-2-6-26(21)30-24/h1-2,5-6,8-17,27H,3-4,7,18-19H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein (FLAP)				Bioorg Med Chem Lett 2: 1395-1398 (1992) Article DOI: 10.1016/S0960-894X(00)80520-X BindingDB Entry DOI: 10.7270/Q2028RGQ
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142050 ((S)-2-(1-cyclohexyl-2-(pyridin-2-yl)-1H-benzo[d]im...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccccn1 Show InChI InChI=1S/C30H29N5O4/c36-21-10-11-23-22(16-21)19(17-32-23)15-26(30(38)39)34-29(37)18-9-12-27-25(14-18)33-28(24-8-4-5-13-31-24)35(27)20-6-2-1-3-7-20/h4-5,8-14,16-17,20,26,32,36H,1-3,6-7,15H2,(H,34,37)(H,38,39)/t26-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175302 (CHEMBL3808401) Show SMILES CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3S/c1-14(2)10-23(35,15-4-3-5-16(8-15)24(25,26)27)22-28-11-19(31-22)32-7-6-17(9-20(32)33)30-21(34)18-12-36-13-29-18/h3-9,11-14,35H,10H2,1-2H3,(H,28,31)(H,30,34)	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	150	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)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					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)	BDBM50142048 ((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C30H28F3N5O6S/c31-30(32,33)45(42,43)37-20-7-8-23-22(14-20)19(15-34-23)13-25(29(40)41)36-28(39)17-6-9-26-24(12-17)35-27(18-10-11-44-16-18)38(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,34,37H,1-5,13H2,(H,36,39)(H,40,41)/t25-/m0/s1	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 (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000857 (2-(1-methoxy-1-(3-(naphthalen-2-ylmethoxy)phenyl)p...) Show SMILES CCC(OC)(c1nccs1)c1cccc(OCc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-13-14-28-23)21-9-6-10-22(16-21)27-17-18-11-12-19-7-4-5-8-20(19)15-18/h4-16H,3,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro potency against human 5-Lipoxygenase				J Med Chem 37: 512-8 (1994) BindingDB Entry DOI: 10.7270/Q2J965FV
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142069 ((R)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...) Show SMILES Cn1cc(C[C@@H](NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)C(O)=O)c2cc(O)ccc12 Show InChI InChI=1S/C30H30N4O5/c1-33-16-20(23-15-22(35)8-10-26(23)33)14-25(30(37)38)32-29(36)18-7-9-27-24(13-18)31-28(19-11-12-39-17-19)34(27)21-5-3-2-4-6-21/h7-13,15-17,21,25,35H,2-6,14H2,1H3,(H,32,36)(H,37,38)/t25-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50040418 (7-[3-(1-Methoxy-1-thiazol-2-yl-propyl)-benzyloxy]-...) Show SMILES CCC(OC)(c1nccs1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2)c1 Show InChI InChI=1S/C32H27NO4S/c1-3-32(35-2,31-33-14-15-38-31)24-11-7-8-21(16-24)19-36-25-12-13-26-23(17-25)18-27-28(20-37-30(27)34)29(26)22-9-5-4-6-10-22/h4-18H,3,19-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro potency against human 5-Lipoxygenase				J Med Chem 37: 512-8 (1994) BindingDB Entry DOI: 10.7270/Q2J965FV
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50175303 (CHEMBL3810042) Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50398047 (CHEMBL2181641) Show SMILES COc1ccc(cn1)-c1c(C2CCCC2)c2ccc(cc2n1C)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C35H36N4O5/c1-39-28-20-24(11-15-27(28)31(23-6-3-4-7-23)32(39)25-12-16-29(44-2)36-21-25)33(42)38-35(18-5-19-35)34(43)37-26-13-8-22(9-14-26)10-17-30(40)41/h8-17,20-21,23H,3-7,18-19H2,1-2H3,(H,37,43)(H,38,42)(H,40,41)/b17-10+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 55: 7650-66 (2012) Article DOI: 10.1021/jm3006788 BindingDB Entry DOI: 10.7270/Q2ZS2XNP
					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	400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of human liver CYP3A4				Bioorg Med Chem Lett 20: 196-200 (2010) Article DOI: 10.1016/j.bmcl.2009.10.136 BindingDB Entry DOI: 10.7270/Q2TD9XFM
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50398051 (CHEMBL2181777) Show SMILES Cc1ccc(nc1)-c1c(C2CCCC2)c2ccc(cc2n1C)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C35H36N4O4/c1-22-8-16-28(36-21-22)32-31(24-6-3-4-7-24)27-15-12-25(20-29(27)39(32)2)33(42)38-35(18-5-19-35)34(43)37-26-13-9-23(10-14-26)11-17-30(40)41/h8-17,20-21,24H,3-7,18-19H2,1-2H3,(H,37,43)(H,38,42)(H,40,41)/b17-11+	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 55: 7650-66 (2012) Article DOI: 10.1021/jm3006788 BindingDB Entry DOI: 10.7270/Q2ZS2XNP
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142051 ((S)-2-[(1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazol...) Show SMILES COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H30N4O5/c1-38-22-8-9-24-23(15-22)20(16-31-24)14-26(30(36)37)33-29(35)18-7-10-27-25(13-18)32-28(19-11-12-39-17-19)34(27)21-5-3-2-4-6-21/h7-13,15-17,21,26,31H,2-6,14H2,1H3,(H,33,35)(H,36,37)/t26-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.				Bioorg Med Chem Lett 14: 967-71 (2004) Article DOI: 10.1016/j.bmcl.2003.12.032 BindingDB Entry DOI: 10.7270/Q29C6WVF
					More data for this Ligand-Target Pair

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