Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50031518   

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
Renin (Homo sapiens (Human))	BDBM50314646 ((S)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H41Cl3N2O3/c1-23-17-31(36)33(32(37)18-23)42-16-4-5-24-7-9-26(10-8-24)19-27(21-38)34(40)39(29-12-13-29)22-28-20-25(6-3-15-41-2)11-14-30(28)35/h7-11,14,17-18,20,27,29H,3-6,12-13,15-16,19,21-22,38H2,1-2H3/t27-/m0/s1	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	0.0900	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314654 (3-amino-N-(2-chloro-5-(3-hydroxypropyl)benzyl)-N-c...) Show SMILES Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1 Show InChI InChI=1S/C33H39Cl3N2O3/c1-22-16-30(35)32(31(36)17-22)41-15-3-5-23-6-8-25(9-7-23)18-26(20-37)33(40)38(28-11-12-28)21-27-19-24(4-2-14-39)10-13-29(27)34/h6-10,13,16-17,19,26,28,39H,2-5,11-12,14-15,18,20-21,37H2,1H3	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	0.0900	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314653 ((S)-3-amino-N-(2-chloro-5-(3-cyanopropyl)benzyl)-N...) Show SMILES Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cc(CCCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1 |r| Show InChI InChI=1S/C34H38Cl3N3O2/c1-23-17-31(36)33(32(37)18-23)42-16-4-6-24-7-9-26(10-8-24)19-27(21-39)34(41)40(29-12-13-29)22-28-20-25(5-2-3-15-38)11-14-30(28)35/h7-11,14,17-18,20,27,29H,2-6,12-13,16,19,21-22,39H2,1H3/t27-/m0/s1	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	0.110	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314655 (3-amino-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1 Show InChI InChI=1S/C33H40Cl3N3O3/c1-22-15-29(34)32(30(35)16-22)42-14-3-5-23-7-9-24(10-8-23)17-25(19-37)33(40)39(28-11-12-28)21-26-18-27(6-4-13-41-2)38-20-31(26)36/h7-10,15-16,18,20,25,28H,3-6,11-14,17,19,21,37H2,1-2H3	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	0.190	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314648 (3-amino-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C33H39Cl3N2O3/c1-22-16-30(35)32(31(36)17-22)41-14-3-4-23-5-7-24(8-6-23)18-26(20-37)33(39)38(28-10-11-28)21-27-19-25(13-15-40-2)9-12-29(27)34/h5-9,12,16-17,19,26,28H,3-4,10-11,13-15,18,20-21,37H2,1-2H3	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	0.190	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314647 (3-amino-N-(2-chloro-5-(2-methoxyethoxy)benzyl)-N-c...) Show SMILES COCCOc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C33H39Cl3N2O4/c1-22-16-30(35)32(31(36)17-22)42-13-3-4-23-5-7-24(8-6-23)18-25(20-37)33(39)38(27-9-10-27)21-26-19-28(11-12-29(26)34)41-15-14-40-2/h5-8,11-12,16-17,19,25,27H,3-4,9-10,13-15,18,20-21,37H2,1-2H3	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	0.210	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314651 (3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-meth...) Show SMILES COCCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C34H40Cl4N2O3/c1-22-15-30(36)33(31(37)16-22)43-14-4-5-23-7-9-24(10-8-23)17-26(20-39)34(41)40(28-11-12-28)21-27-18-25(6-3-13-42-2)19-29(35)32(27)38/h7-10,15-16,18-19,26,28H,3-6,11-14,17,20-21,39H2,1-2H3	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	0.260	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314645 ((+/-)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzy...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C34H41Cl3N2O3/c1-23-17-31(36)33(32(37)18-23)42-16-4-5-24-7-9-26(10-8-24)19-27(21-38)34(40)39(29-12-13-29)22-28-20-25(6-3-15-41-2)11-14-30(28)35/h7-11,14,17-18,20,27,29H,3-6,12-13,15-16,19,21-22,38H2,1-2H3	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	0.260	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314652 (3-amino-N-(2-chloro-5-(2-cyanoethyl)benzyl)-N-cycl...) Show SMILES Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1 Show InChI InChI=1S/C33H36Cl3N3O2/c1-22-16-30(35)32(31(36)17-22)41-15-3-5-23-6-8-25(9-7-23)18-26(20-38)33(40)39(28-11-12-28)21-27-19-24(4-2-14-37)10-13-29(27)34/h6-10,13,16-17,19,26,28H,2-5,11-12,15,18,20-21,38H2,1H3	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	0.270	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314656 (4-((3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)c[n+]1[O-] Show InChI InChI=1S/C33H40Cl3N3O4/c1-22-15-29(34)32(30(35)16-22)43-14-3-5-23-7-9-24(10-8-23)17-25(19-37)33(40)38(27-11-12-27)20-26-18-28(6-4-13-42-2)39(41)21-31(26)36/h7-10,15-16,18,21,25,27H,3-6,11-14,17,19-20,37H2,1-2H3	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	0.300	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314644 (3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-meth...) Show SMILES Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 Show InChI InChI=1S/C30H32Cl4N2O2/c1-19-14-26(32)29(27(33)15-19)38-13-3-4-20-7-9-21(10-8-20)16-23(17-35)30(37)36(24-11-12-24)18-22-5-2-6-25(31)28(22)34/h2,5-10,14-15,23-24H,3-4,11-13,16-18,35H2,1H3	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	0.400	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314658 ((+/-)-3-amino-2-(4-(3-(2-chloro-3,6-difluorophenox...) Show SMILES NCC(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 Show InChI InChI=1S/C29H29Cl3F2N2O2/c30-23-5-1-4-20(26(23)31)17-36(22-10-11-22)29(37)21(16-35)15-19-8-6-18(7-9-19)3-2-14-38-28-25(34)13-12-24(33)27(28)32/h1,4-9,12-13,21-22H,2-3,10-11,14-17,35H2	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	0.790	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314650 (3-amino-N-(2-chloro-5-(3-(dimethylamino)propyl)ben...) Show SMILES CN(C)CCCc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C35H44Cl3N3O2/c1-24-18-32(37)34(33(38)19-24)43-17-5-7-25-8-10-27(11-9-25)20-28(22-39)35(42)41(30-13-14-30)23-29-21-26(12-15-31(29)36)6-4-16-40(2)3/h8-12,15,18-19,21,28,30H,4-7,13-14,16-17,20,22-23,39H2,1-3H3	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	1.5	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314656 (4-((3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)c[n+]1[O-] Show InChI InChI=1S/C33H40Cl3N3O4/c1-22-15-29(34)32(30(35)16-22)43-14-3-5-23-7-9-24(10-8-23)17-25(19-37)33(40)38(27-11-12-27)20-26-18-28(6-4-13-42-2)39(41)21-31(26)36/h7-10,15-16,18,21,25,27H,3-6,11-14,17,19-20,37H2,1-2H3	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314660 (2-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)benzy...) Show SMILES CNCC(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 Show InChI InChI=1S/C30H31Cl3F2N2O2/c1-36-17-22(30(38)37(23-11-12-23)18-21-5-2-6-24(31)27(21)32)16-20-9-7-19(8-10-20)4-3-15-39-29-26(35)14-13-25(34)28(29)33/h2,5-10,13-14,22-23,36H,3-4,11-12,15-18H2,1H3	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	1.90	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314655 (3-amino-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1 Show InChI InChI=1S/C33H40Cl3N3O3/c1-22-15-29(34)32(30(35)16-22)42-14-3-5-23-7-9-24(10-8-23)17-25(19-37)33(40)39(28-11-12-28)21-26-18-27(6-4-13-41-2)38-20-31(26)36/h7-10,15-16,18,20,25,28H,3-6,11-14,17,19,21,37H2,1-2H3	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314646 ((S)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H41Cl3N2O3/c1-23-17-31(36)33(32(37)18-23)42-16-4-5-24-7-9-26(10-8-24)19-27(21-38)34(40)39(29-12-13-29)22-28-20-25(6-3-15-41-2)11-14-30(28)35/h7-11,14,17-18,20,27,29H,3-6,12-13,15-16,19,21-22,38H2,1-2H3/t27-/m0/s1	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314649 (3-amino-N-(2-chloro-5-((N-methylacetamido)methyl)b...) Show SMILES CN(Cc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1)C(C)=O Show InChI InChI=1S/C34H40Cl3N3O3/c1-22-15-31(36)33(32(37)16-22)43-14-4-5-24-6-8-25(9-7-24)17-27(19-38)34(42)40(29-11-12-29)21-28-18-26(10-13-30(28)35)20-39(3)23(2)41/h6-10,13,15-16,18,27,29H,4-5,11-12,14,17,19-21,38H2,1-3H3	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	2.90	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314653 ((S)-3-amino-N-(2-chloro-5-(3-cyanopropyl)benzyl)-N...) Show SMILES Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cc(CCCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1 |r| Show InChI InChI=1S/C34H38Cl3N3O2/c1-23-17-31(36)33(32(37)18-23)42-16-4-6-24-7-9-26(10-8-24)19-27(21-39)34(41)40(29-12-13-29)22-28-20-25(5-2-3-15-38)11-14-30(28)35/h7-11,14,17-18,20,27,29H,2-6,12-13,16,19,21-22,39H2,1H3/t27-/m0/s1	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314645 ((+/-)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzy...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C34H41Cl3N2O3/c1-23-17-31(36)33(32(37)18-23)42-16-4-5-24-7-9-26(10-8-24)19-27(21-38)34(40)39(29-12-13-29)22-28-20-25(6-3-15-41-2)11-14-30(28)35/h7-11,14,17-18,20,27,29H,3-6,12-13,15-16,19,21-22,38H2,1-2H3	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	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314654 (3-amino-N-(2-chloro-5-(3-hydroxypropyl)benzyl)-N-c...) Show SMILES Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1 Show InChI InChI=1S/C33H39Cl3N2O3/c1-22-16-30(35)32(31(36)17-22)41-15-3-5-23-6-8-25(9-7-23)18-26(20-37)33(40)38(28-11-12-28)21-27-19-24(4-2-14-39)10-13-29(27)34/h6-10,13,16-17,19,26,28,39H,2-5,11-12,14-15,18,20-21,37H2,1H3	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	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314648 (3-amino-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C33H39Cl3N2O3/c1-22-16-30(35)32(31(36)17-22)41-14-3-4-23-5-7-24(8-6-23)18-26(20-37)33(39)38(28-10-11-28)21-27-19-25(13-15-40-2)9-12-29(27)34/h5-9,12,16-17,19,26,28H,3-4,10-11,13-15,18,20-21,37H2,1-2H3	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314652 (3-amino-N-(2-chloro-5-(2-cyanoethyl)benzyl)-N-cycl...) Show SMILES Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cc(CCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1 Show InChI InChI=1S/C33H36Cl3N3O2/c1-22-16-30(35)32(31(36)17-22)41-15-3-5-23-6-8-25(9-7-23)18-26(20-38)33(40)39(28-11-12-28)21-27-19-24(4-2-14-37)10-13-29(27)34/h6-10,13,16-17,19,26,28H,2-5,11-12,15,18,20-21,38H2,1H3	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314647 (3-amino-N-(2-chloro-5-(2-methoxyethoxy)benzyl)-N-c...) Show SMILES COCCOc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C33H39Cl3N2O4/c1-22-16-30(35)32(31(36)17-22)42-13-3-4-23-5-7-24(8-6-23)18-25(20-37)33(39)38(27-9-10-27)21-26-19-28(11-12-29(26)34)41-15-14-40-2/h5-8,11-12,16-17,19,25,27H,3-4,9-10,13-15,18,20-21,37H2,1-2H3	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314658 ((+/-)-3-amino-2-(4-(3-(2-chloro-3,6-difluorophenox...) Show SMILES NCC(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 Show InChI InChI=1S/C29H29Cl3F2N2O2/c30-23-5-1-4-20(26(23)31)17-36(22-10-11-22)29(37)21(16-35)15-19-8-6-18(7-9-19)3-2-14-38-28-25(34)13-12-24(33)27(28)32/h1,4-9,12-13,21-22H,2-3,10-11,14-17,35H2	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314644 (3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-meth...) Show SMILES Cc1cc(Cl)c(OCCCc2ccc(CC(CN)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 Show InChI InChI=1S/C30H32Cl4N2O2/c1-19-14-26(32)29(27(33)15-19)38-13-3-4-20-7-9-21(10-8-20)16-23(17-35)30(37)36(24-11-12-24)18-22-5-2-6-25(31)28(22)34/h2,5-10,14-15,23-24H,3-4,11-13,16-18,35H2,1H3	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314651 (3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-meth...) Show SMILES COCCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C34H40Cl4N2O3/c1-22-15-30(36)33(31(37)16-22)43-14-4-5-23-7-9-24(10-8-23)17-26(20-39)34(41)40(28-11-12-28)21-27-18-25(6-3-13-42-2)19-29(35)32(27)38/h7-10,15-16,18-19,26,28H,3-6,11-14,17,20-21,39H2,1-2H3	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314650 (3-amino-N-(2-chloro-5-(3-(dimethylamino)propyl)ben...) Show SMILES CN(C)CCCc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 Show InChI InChI=1S/C35H44Cl3N3O2/c1-24-18-32(37)34(33(38)19-24)43-17-5-7-25-8-10-27(11-9-25)20-28(22-39)35(42)41(30-13-14-30)23-29-21-26(12-15-31(29)36)6-4-16-40(2)3/h8-12,15,18-19,21,28,30H,4-7,13-14,16-17,20,22-23,39H2,1-3H3	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	103	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50314646 ((S)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H41Cl3N2O3/c1-23-17-31(36)33(32(37)18-23)42-16-4-5-24-7-9-26(10-8-24)19-27(21-38)34(40)39(29-12-13-29)22-28-20-25(6-3-15-41-2)11-14-30(28)35/h7-11,14,17-18,20,27,29H,3-6,12-13,15-16,19,21-22,38H2,1-2H3/t27-/m0/s1	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314662 (3-amino-2-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...) Show SMILES CC(CN)(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 Show InChI InChI=1S/C30H31Cl3F2N2O2/c1-30(18-36,29(38)37(22-11-12-22)17-21-5-2-6-23(31)26(21)32)16-20-9-7-19(8-10-20)4-3-15-39-28-25(35)14-13-24(34)27(28)33/h2,5-10,13-14,22H,3-4,11-12,15-18,36H2,1H3	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	210	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314649 (3-amino-N-(2-chloro-5-((N-methylacetamido)methyl)b...) Show SMILES CN(Cc1ccc(Cl)c(CN(C2CC2)C(=O)C(CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1)C(C)=O Show InChI InChI=1S/C34H40Cl3N3O3/c1-22-15-31(36)33(32(37)16-22)43-14-4-5-24-6-8-25(9-7-24)17-27(19-38)34(42)40(29-11-12-29)21-28-18-26(10-13-30(28)35)20-39(3)23(2)41/h6-10,13,15-16,18,27,29H,4-5,11-12,14,17,19-21,38H2,1-3H3	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314661 (3-(benzylamino)-2-(4-(3-(2-chloro-3,6-difluorophen...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(CC(CNCc3ccccc3)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c1Cl Show InChI InChI=1S/C36H35Cl3F2N2O2/c37-30-10-4-9-27(33(30)38)23-43(29-15-16-29)36(44)28(22-42-21-26-6-2-1-3-7-26)20-25-13-11-24(12-14-25)8-5-19-45-35-32(41)18-17-31(40)34(35)39/h1-4,6-7,9-14,17-18,28-29,42H,5,8,15-16,19-23H2	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	260	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314660 (2-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)benzy...) Show SMILES CNCC(Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 Show InChI InChI=1S/C30H31Cl3F2N2O2/c1-36-17-22(30(38)37(23-11-12-23)18-21-5-2-6-24(31)27(21)32)16-20-9-7-19(8-10-20)4-3-15-39-29-26(35)14-13-25(34)28(29)33/h2,5-10,13-14,22-23,36H,3-4,11-12,15-18H2,1H3	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	350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in human citrated-plasma				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50314659 (5-amino-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop...) Show SMILES NCCC(CC(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 Show InChI InChI=1S/C30H31Cl3F2N2O2/c31-24-5-1-4-22(28(24)32)18-37(23-10-11-23)27(38)17-21(14-15-36)20-8-6-19(7-9-20)3-2-16-39-30-26(35)13-12-25(34)29(30)33/h1,4-9,12-13,21,23H,2-3,10-11,14-18,36H2	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	650	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in PBS buffer at pH 7.4				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50314657 ((R)-3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C37H48Cl2N2O5/c1-26-18-34(38)36(35(39)19-26)46-15-5-6-27-8-10-28(11-9-27)21-31(24-40)37(42)41(32-12-13-32)25-30-20-29(7-4-14-43-2)22-33(23-30)45-17-16-44-3/h8-11,18-20,22-23,31-32H,4-7,12-17,21,24-25,40H2,1-3H3/t31-/m1/s1	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 2204-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.036 BindingDB Entry DOI: 10.7270/Q2W37WGD
					More data for this Ligand-Target Pair