Compile Data Set for Download or QSAR

Found 332 hits with Last Name = 'bezençon' and Initial = 'o'   

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))	BDBM50330345 (CHEMBL1276275 | N-(2-(7-(((3R,4R)-4-(4-(3-(2-metho...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2CCCN(CCNC(C)=O)c2c1 |r| Show InChI InChI=1S/C36H47N3O5/c1-27(40)38-18-20-39-19-5-8-30-11-10-28(23-34(30)39)25-44-36-24-37-17-16-33(36)29-12-14-32(15-13-29)43-22-6-21-42-26-31-7-3-4-9-35(31)41-2/h3-4,7,9-15,23,33,36-37H,5-6,8,16-22,24-26H2,1-2H3,(H,38,40)/t33-,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328867 (CHEMBL1269698 | rac-5-chloro-4-((N-cyclopropyl-4-(...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C2CNCCC2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)c[n+]1[O-] Show InChI InChI=1S/C34H40Cl3N3O5/c1-22-16-30(35)33(31(36)17-22)45-15-14-44-27-9-5-23(6-10-27)28-11-12-38-19-29(28)34(41)39(25-7-8-25)20-24-18-26(4-3-13-43-2)40(42)21-32(24)37/h5-6,9-10,16-18,21,25,28-29,38H,3-4,7-8,11-15,19-20H2,1-2H3	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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328846 ((3R,4S)-N-(2-chloro-5-(2-(2,2-difluoroethylamino)e...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCNCC(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C35H40Cl3F2N3O3/c1-22-16-31(37)34(32(38)17-22)46-15-14-45-27-7-3-24(4-8-27)28-11-13-41-19-29(28)35(44)43(26-5-6-26)21-25-18-23(2-9-30(25)36)10-12-42-20-33(39)40/h2-4,7-9,16-18,26,28-29,33,41-42H,5-6,10-15,19-21H2,1H3/t28-,29+/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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328908 (CHEMBL1269746 | methyl 4-chloro-3-(((3R,4S)-N-cycl...) Show SMILES COC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c1 |r| Show InChI InChI=1S/C33H37Cl3N4O5/c1-20-13-28(35)31(29(36)14-20)45-12-11-44-30-8-4-22(17-38-30)25-9-10-37-18-26(25)32(41)40(24-5-6-24)19-23-15-21(3-7-27(23)34)16-39-33(42)43-2/h3-4,7-8,13-15,17,24-26,37H,5-6,9-12,16,18-19H2,1-2H3,(H,39,42)/t25-,26+/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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328916 ((3R,4S)-4-(6-((3-(2-chloro-3,6-difluorophenyl)isox...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c1 |r| Show InChI InChI=1S/C34H34Cl2F2N4O4/c1-44-13-11-20-2-6-27(35)22(14-20)18-42(23-4-5-23)34(43)26-17-39-12-10-25(26)21-3-9-31(40-16-21)45-19-24-15-30(41-46-24)32-28(37)7-8-29(38)33(32)36/h2-3,6-9,14-16,23,25-26,39H,4-5,10-13,17-19H2,1H3/t25-,26+/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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328905 ((3R,4S)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c1 |r| Show InChI InChI=1S/C33H38Cl3N3O4/c1-21-15-29(35)32(30(36)16-21)43-14-13-42-31-8-4-23(18-38-31)26-9-11-37-19-27(26)33(40)39(25-5-6-25)20-24-17-22(10-12-41-2)3-7-28(24)34/h3-4,7-8,15-18,25-27,37H,5-6,9-14,19-20H2,1-2H3/t26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328910 (5-chloro-4-(((3R,4S)-N-cyclopropyl-4-(6-(2-(2,6-di...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c(Cl)c[n+]1[O-] |r| Show InChI InChI=1S/C33H39Cl3N4O5/c1-21-14-28(34)32(29(35)15-21)45-13-12-44-31-8-5-22(17-38-31)26-9-10-37-18-27(26)33(41)39(24-6-7-24)19-23-16-25(4-3-11-43-2)40(42)20-30(23)36/h5,8,14-17,20,24,26-27,37H,3-4,6-7,9-13,18-19H2,1-2H3/t26-,27+/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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328906 ((3R,4S)-N-(5-(2-acetamidoethyl)-2-chlorobenzyl)-N-...) Show SMILES CC(=O)NCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c1 |r| Show InChI InChI=1S/C34H39Cl3N4O4/c1-21-15-30(36)33(31(37)16-21)45-14-13-44-32-8-4-24(18-40-32)27-10-11-38-19-28(27)34(43)41(26-5-6-26)20-25-17-23(3-7-29(25)35)9-12-39-22(2)42/h3-4,7-8,15-18,26-28,38H,5-6,9-14,19-20H2,1-2H3,(H,39,42)/t27-,28+/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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328911 ((3R,4S)-N-(5-(2-acetamidoethyl)-2-chlorobenzyl)-4-...) Show SMILES CC(=O)NCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)cc2)c1 |r| Show InChI InChI=1S/C36H36Cl2F2N4O4/c1-21(45)42-15-12-22-2-9-30(37)24(16-22)19-44(25-5-6-25)36(46)29-18-41-14-13-28(29)23-3-7-26(8-4-23)47-20-27-17-33(43-48-27)34-31(39)10-11-32(40)35(34)38/h2-4,7-11,16-17,25,28-29,41H,5-6,12-15,18-20H2,1H3,(H,42,45)/t28-,29+/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328861 (CHEMBL1269696 | methyl 4-chloro-3-(((3R,4S)-N-cycl...) Show SMILES COC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H38Cl3N3O5/c1-21-15-30(36)32(31(37)16-21)45-14-13-44-26-8-4-23(5-9-26)27-11-12-38-19-28(27)33(41)40(25-6-7-25)20-24-17-22(3-10-29(24)35)18-39-34(42)43-2/h3-5,8-10,15-17,25,27-28,38H,6-7,11-14,18-20H2,1-2H3,(H,39,42)/t27-,28+/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328861 (CHEMBL1269696 | methyl 4-chloro-3-(((3R,4S)-N-cycl...) Show SMILES COC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H38Cl3N3O5/c1-21-15-30(36)32(31(37)16-21)45-14-13-44-26-8-4-23(5-9-26)27-11-12-38-19-28(27)33(41)40(25-6-7-25)20-24-17-22(3-10-29(24)35)18-39-34(42)43-2/h3-5,8-10,15-17,25,27-28,38H,6-7,11-14,18-20H2,1-2H3,(H,39,42)/t27-,28+/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					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))	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))	BDBM50328922 (5-chloro-4-(((3R,4S)-N-cyclopropyl-4-(6-((R)-3-(2,...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(nc2)N2CC[C@H](C2)Oc2c(Cl)cc(C)cc2Cl)c(Cl)c[n+]1[O-] |r| Show InChI InChI=1S/C35H42Cl3N5O4/c1-22-14-30(36)34(31(37)15-22)47-27-10-12-41(20-27)33-8-5-23(17-40-33)28-9-11-39-18-29(28)35(44)42(25-6-7-25)19-24-16-26(4-3-13-46-2)43(45)21-32(24)38/h5,8,14-17,21,25,27-29,39H,3-4,6-7,9-13,18-20H2,1-2H3/t27-,28-,29+/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328923 (5-chloro-4-(((3R,4S)-N-cyclopropyl-4-(6-((S)-3-(2,...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(nc2)N2CC[C@@H](C2)Oc2c(Cl)cc(C)cc2Cl)c(Cl)c[n+]1[O-] |r| Show InChI InChI=1S/C35H42Cl3N5O4/c1-22-14-30(36)34(31(37)15-22)47-27-10-12-41(20-27)33-8-5-23(17-40-33)28-9-11-39-18-29(28)35(44)42(25-6-7-25)19-24-16-26(4-3-13-46-2)43(45)21-32(24)38/h5,8,14-17,21,25,27-29,39H,3-4,6-7,9-13,18-20H2,1-2H3/t27-,28+,29-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328856 ((3R,4S)-N-(2-chloro-5-(3-(methylamino)-3-oxopropyl...) Show SMILES CNC(=O)CCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O4/c1-22-17-31(37)34(32(38)18-22)45-16-15-44-27-9-5-24(6-10-27)28-13-14-40-20-29(28)35(43)41(26-7-8-26)21-25-19-23(3-11-30(25)36)4-12-33(42)39-2/h3,5-6,9-11,17-19,26,28-29,40H,4,7-8,12-16,20-21H2,1-2H3,(H,39,42)/t28-,29+/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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (docked)
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))	BDBM50328924 ((3S,4R)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c1 |r| Show InChI InChI=1S/C33H38Cl3N3O5/c1-21-15-28(35)31(29(36)16-21)44-14-13-43-30-8-4-24(18-38-30)33(41)10-11-37-19-26(33)32(40)39(25-5-6-25)20-23-17-22(9-12-42-2)3-7-27(23)34/h3-4,7-8,15-18,25-26,37,41H,5-6,9-14,19-20H2,1-2H3/t26-,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50328919 ((3R,4S)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(nc2)N2CC[C@H](C2)Oc2c(Cl)cc(C)cc2Cl)c1 |r| Show InChI InChI=1S/C35H41Cl3N4O3/c1-22-15-31(37)34(32(38)16-22)45-27-10-13-41(21-27)33-8-4-24(18-40-33)28-9-12-39-19-29(28)35(43)42(26-5-6-26)20-25-17-23(11-14-44-2)3-7-30(25)36/h3-4,7-8,15-18,26-29,39H,5-6,9-14,19-21H2,1-2H3/t27-,28-,29+/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	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328915 (5-chloro-4-(((3R,4S)-4-(4-((3-(2-chloro-3,6-difluo...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)C2CNCCC2c2ccc(OCc3cc([n-][o+]3)-c3c(F)ccc(F)c3Cl)cc2)c(Cl)c[n+]1[O-] Show InChI InChI=1S/C35H36Cl2F2N4O5/c1-46-14-2-3-24-15-22(29(36)19-43(24)45)18-42(23-6-7-23)35(44)28-17-40-13-12-27(28)21-4-8-25(9-5-21)47-20-26-16-32(41-48-26)33-30(38)10-11-31(39)34(33)37/h4-5,8-11,15-16,19,23,27-28,40H,2-3,6-7,12-14,17-18,20H2,1H3	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	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328917 ((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c(Cl)cn1 |r| Show InChI InChI=1S/C34H35Cl2F2N5O4/c1-45-12-2-3-22-13-21(27(35)17-40-22)18-43(23-5-6-23)34(44)26-16-39-11-10-25(26)20-4-9-31(41-15-20)46-19-24-14-30(42-47-24)32-28(37)7-8-29(38)33(32)36/h4,7-9,13-15,17,23,25-26,39H,2-3,5-6,10-12,16,18-19H2,1H3/t25-,26+/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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328909 ((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c(Cl)cn1 |r| Show InChI InChI=1S/C33H39Cl3N4O4/c1-21-14-28(34)32(29(35)15-21)44-13-12-43-31-8-5-22(17-39-31)26-9-10-37-18-27(26)33(41)40(25-6-7-25)20-23-16-24(4-3-11-42-2)38-19-30(23)36/h5,8,14-17,19,25-27,37H,3-4,6-7,9-13,18,20H2,1-2H3/t26-,27+/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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328926 ((3S,4R)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(nc2)N2CC[C@H](C2)Oc2c(Cl)cc(C)cc2Cl)c1 |r| Show InChI InChI=1S/C35H41Cl3N4O4/c1-22-15-30(37)33(31(38)16-22)46-27-9-13-41(21-27)32-8-4-25(18-40-32)35(44)11-12-39-19-28(35)34(43)42(26-5-6-26)20-24-17-23(10-14-45-2)3-7-29(24)36/h3-4,7-8,15-18,26-28,39,44H,5-6,9-14,19-21H2,1-2H3/t27-,28-,35+/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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328913 (CHEMBL1269751 | methyl 4-chloro-3-(((3R,4S)-4-(4-(...) Show SMILES COC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H34Cl2F2N4O5/c1-46-35(45)41-16-20-2-9-28(36)22(14-20)18-43(23-5-6-23)34(44)27-17-40-13-12-26(27)21-3-7-24(8-4-21)47-19-25-15-31(42-48-25)32-29(38)10-11-30(39)33(32)37/h2-4,7-11,14-15,23,26-27,40H,5-6,12-13,16-19H2,1H3,(H,41,45)/t26-,27+/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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328844 ((3R,4S)-N-(2-chloro-5-((2-fluoroethylamino)methyl)...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNCCF)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C34H39Cl3FN3O3/c1-22-16-31(36)33(32(37)17-22)44-15-14-43-27-7-3-24(4-8-27)28-10-12-39-20-29(28)34(42)41(26-5-6-26)21-25-18-23(2-9-30(25)35)19-40-13-11-38/h2-4,7-9,16-18,26,28-29,39-40H,5-6,10-15,19-21H2,1H3/t28-,29+/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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328904 ((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)c1 |r| Show InChI InChI=1S/C34H40Cl3N3O4/c1-22-16-30(36)33(31(37)17-22)44-15-14-43-32-10-6-24(19-39-32)27-11-12-38-20-28(27)34(41)40(26-7-8-26)21-25-18-23(4-3-13-42-2)5-9-29(25)35/h5-6,9-10,16-19,26-28,38H,3-4,7-8,11-15,20-21H2,1-2H3/t27-,28+/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	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50259452 ((1R,5S)-3-Acetyl-7-{4-[2-(2,6-dichloro-4-methyl-ph...) Show SMILES [H][C@@]12CN(C[C@@]([H])(N1)C(C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)=C(C2)c1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1)C(C)=O |r,wU:1.0,wD:5.5,c:26,TLB:26:24:7:3.4.2,THB:45:3:7:8.24.25,9:8:7:3.4.2,(12.06,-12.12,;11.66,-10.63,;13.38,-10.97,;13.92,-9.5,;12.81,-10.12,;11,-9.79,;9.51,-10.19,;10.46,-11.26,;10.28,-8.29,;8.74,-8.23,;8.02,-6.87,;7.92,-9.53,;6.38,-9.48,;5.57,-10.78,;6.29,-12.13,;5.48,-13.44,;3.94,-13.39,;3.21,-12.02,;1.68,-11.97,;4.03,-10.72,;3.31,-9.36,;8.64,-10.89,;8.59,-12.43,;9.95,-11.71,;11.4,-7.93,;11.93,-8.91,;12.23,-7.52,;13.77,-7.53,;14.54,-6.19,;13.76,-4.86,;14.53,-3.52,;16.07,-3.51,;16.83,-2.18,;18.37,-2.17,;19.14,-.83,;18.37,.48,;16.83,.48,;19.12,1.81,;20.67,1.83,;21.43,3.17,;21.45,.5,;20.68,-.83,;21.45,-2.17,;12.22,-4.87,;11.46,-6.2,;15.22,-8.67,;16.58,-9.39,;15.16,-7.14,)| Show InChI InChI=1S/C35H35Cl4N3O4/c1-20-14-29(37)34(30(38)15-20)46-13-12-45-26-10-6-22(7-11-26)27-16-24-18-41(21(2)43)19-31(40-24)32(27)35(44)42(25-8-9-25)17-23-4-3-5-28(36)33(23)39/h3-7,10-11,14-15,24-25,31,40H,8-9,12-13,16-19H2,1-2H3/t24-,31-/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	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328907 ((3R,4S)-N-(2-chloro-5-((3,3,3-trifluoropropanamido...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cn2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C34H36Cl3F3N4O4/c1-20-12-28(36)32(29(37)13-20)48-11-10-47-31-7-3-22(17-43-31)25-8-9-41-18-26(25)33(46)44(24-4-5-24)19-23-14-21(2-6-27(23)35)16-42-30(45)15-34(38,39)40/h2-3,6-7,12-14,17,24-26,41H,4-5,8-11,15-16,18-19H2,1H3,(H,42,45)/t25-,26+/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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328914 ((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)cc2)c(Cl)cn1 |r| Show InChI InChI=1S/C35H36Cl2F2N4O4/c1-45-14-2-3-23-15-22(29(36)18-41-23)19-43(24-6-7-24)35(44)28-17-40-13-12-27(28)21-4-8-25(9-5-21)46-20-26-16-32(42-47-26)33-30(38)10-11-31(39)34(33)37/h4-5,8-11,15-16,18,24,27-28,40H,2-3,6-7,12-14,17,19-20H2,1H3/t27-,28+/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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328912 ((3R,4S)-4-(4-((3-(2-chloro-3,6-difluorophenyl)isox...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)cc2)c1 |r| Show InChI InChI=1S/C36H37Cl2F2N3O4/c1-45-16-2-3-22-4-11-30(37)24(17-22)20-43(25-7-8-25)36(44)29-19-41-15-14-28(29)23-5-9-26(10-6-23)46-21-27-18-33(42-47-27)34-31(39)12-13-32(40)35(34)38/h4-6,9-13,17-18,25,28-29,41H,2-3,7-8,14-16,19-21H2,1H3/t28-,29+/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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328852 ((3R,4S)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H39Cl3N2O4/c1-22-17-31(36)33(32(37)18-22)43-16-15-42-27-8-4-24(5-9-27)28-11-13-38-20-29(28)34(40)39(26-6-7-26)21-25-19-23(12-14-41-2)3-10-30(25)35/h3-5,8-10,17-19,26,28-29,38H,6-7,11-16,20-21H2,1-2H3/t28-,29+/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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328852 ((3R,4S)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H39Cl3N2O4/c1-22-17-31(36)33(32(37)18-22)43-16-15-42-27-8-4-24(5-9-27)28-11-13-38-20-29(28)34(40)39(26-6-7-26)21-25-19-23(12-14-41-2)3-10-30(25)35/h3-5,8-10,17-19,26,28-29,38H,6-7,11-16,20-21H2,1-2H3/t28-,29+/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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328852 ((3R,4S)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H39Cl3N2O4/c1-22-17-31(36)33(32(37)18-22)43-16-15-42-27-8-4-24(5-9-27)28-11-13-38-20-29(28)34(40)39(26-6-7-26)21-25-19-23(12-14-41-2)3-10-30(25)35/h3-5,8-10,17-19,26,28-29,38H,6-7,11-16,20-21H2,1-2H3/t28-,29+/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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328855 ((3R,4S)-N-(5-(2-acetamidoethyl)-2-chlorobenzyl)-N-...) Show SMILES CC(=O)NCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O4/c1-22-17-32(37)34(33(38)18-22)45-16-15-44-28-8-4-25(5-9-28)29-12-13-39-20-30(29)35(43)41(27-6-7-27)21-26-19-24(3-10-31(26)36)11-14-40-23(2)42/h3-5,8-10,17-19,27,29-30,39H,6-7,11-16,20-21H2,1-2H3,(H,40,42)/t29-,30+/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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328855 ((3R,4S)-N-(5-(2-acetamidoethyl)-2-chlorobenzyl)-N-...) Show SMILES CC(=O)NCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H40Cl3N3O4/c1-22-17-32(37)34(33(38)18-22)45-16-15-44-28-8-4-25(5-9-28)29-12-13-39-20-30(29)35(43)41(27-6-7-27)21-26-19-24(3-10-31(26)36)11-14-40-23(2)42/h3-5,8-10,17-19,27,29-30,39H,6-7,11-16,20-21H2,1-2H3,(H,40,42)/t29-,30+/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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328866 (CHEMBL1270761 | rac-N-cyclopropyl-4-(4-(2-(2,6-dic...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)C2(O)CCNCC2C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 Show InChI InChI=1S/C33H38Cl2N2O4/c1-21-17-29(34)31(30(35)18-21)41-16-15-40-27-11-7-25(8-12-27)33(39)13-14-36-19-28(33)32(38)37(26-9-10-26)20-24-6-4-5-22(2)23(24)3/h4-8,11-12,17-18,26,28,36,39H,9-10,13-16,19-20H2,1-3H3	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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					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))	BDBM50328918 (5-chloro-4-(((3R,4S)-4-(6-((3-(2-chloro-3,6-difluo...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c(Cl)c[n+]1[O-] |r| Show InChI InChI=1S/C34H35Cl2F2N5O5/c1-46-12-2-3-23-13-21(27(35)18-43(23)45)17-42(22-5-6-22)34(44)26-16-39-11-10-25(26)20-4-9-31(40-15-20)47-19-24-14-30(41-48-24)32-28(37)7-8-29(38)33(32)36/h4,7-9,13-15,18,22,25-26,39H,2-3,5-6,10-12,16-17,19H2,1H3/t25-,26+/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328925 ((3S,4R)-4-(6-((3-(2-chloro-3,6-difluorophenyl)-2,3...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCC3=CC(NO3)c3c(F)ccc(F)c3Cl)nc2)c1 |r,t:32| Show InChI InChI=1S/C34H36Cl2F2N4O5/c1-45-13-10-20-2-6-26(35)21(14-20)18-42(23-4-5-23)33(43)25-17-39-12-11-34(25,44)22-3-9-30(40-16-22)46-19-24-15-29(41-47-24)31-27(37)7-8-28(38)32(31)36/h2-3,6-9,14-16,23,25,29,39,41,44H,4-5,10-13,17-19H2,1H3/t25-,29?,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328918 (5-chloro-4-(((3R,4S)-4-(6-((3-(2-chloro-3,6-difluo...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c(Cl)c[n+]1[O-] |r| Show InChI InChI=1S/C34H35Cl2F2N5O5/c1-46-12-2-3-23-13-21(27(35)18-43(23)45)17-42(22-5-6-22)34(44)26-16-39-11-10-25(26)20-4-9-31(40-15-20)47-19-24-14-30(41-48-24)32-28(37)7-8-29(38)33(32)36/h4,7-9,13-15,18,22,25-26,39H,2-3,5-6,10-12,16-17,19H2,1H3/t25-,26+/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50259432 ((1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-pro...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r,wU:22.31,wD:26.30,t:22,TLB:17:20:28:24.23.25,29:24:28:21.20.27,THB:32:21:28:24.23.25,(20.64,-1.86,;21.41,-.53,;20.63,.81,;21.4,2.14,;20.62,3.47,;19.07,3.45,;18.32,2.12,;19.09,.81,;18.32,-.53,;16.78,-.54,;16.02,-1.87,;14.48,-1.88,;13.71,-3.22,;12.17,-3.23,;11.41,-4.56,;12.18,-5.9,;11.42,-7.23,;9.88,-7.23,;9.1,-5.91,;9.86,-4.57,;9.2,-7.98,;7.92,-7.99,;8.64,-9.5,;10.45,-9.83,;11.56,-9.2,;11.02,-10.68,;9.3,-10.34,;9.6,-8.91,;8.11,-10.96,;12.86,-8.38,;14.23,-9.1,;12.8,-6.84,;6.38,-7.93,;5.66,-6.57,;5.57,-9.24,;4.03,-9.18,;3.21,-10.49,;3.94,-11.84,;3.13,-13.14,;1.58,-13.09,;.86,-11.73,;-.68,-11.67,;1.68,-10.43,;.96,-9.06,;6.29,-10.6,;6.24,-12.14,;7.6,-11.42,)| Show InChI InChI=1S/C37H41Cl2N3O5/c1-24(43)41-21-28-19-31(25-11-15-30(16-12-25)47-18-6-17-46-23-27-7-3-4-10-34(27)45-2)35(33(22-41)40-28)37(44)42(29-13-14-29)20-26-8-5-9-32(38)36(26)39/h3-5,7-12,15-16,28-29,33,40H,6,13-14,17-23H2,1-2H3/t28-,33-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50259464 ((1R,5S)-7-{4-[2-(2,6-Dichloro-4-methyl-phenoxy)-et...) Show SMILES CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(C)c1C)C1CC1)c1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1 |r,c:7,TLB:27:7:11:3.10.4,1:3:11:8.7.6,THB:12:8:11:3.10.4| Show InChI InChI=1S/C37H41Cl2N3O4/c1-22-16-32(38)36(33(39)17-22)46-15-14-45-30-12-8-26(9-13-30)31-18-28-20-41(25(4)43)21-34(40-28)35(31)37(44)42(29-10-11-29)19-27-7-5-6-23(2)24(27)3/h5-9,12-13,16-17,28-29,34,40H,10-11,14-15,18-21H2,1-4H3/t28-,34-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328921 ((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(nc2)N2CC[C@H](C2)Oc2c(Cl)cc(C)cc2Cl)c(Cl)cn1 |r| Show InChI InChI=1S/C35H42Cl3N5O3/c1-22-14-30(36)34(31(37)15-22)46-27-10-12-42(21-27)33-8-5-23(17-41-33)28-9-11-39-18-29(28)35(44)43(26-6-7-26)20-24-16-25(4-3-13-45-2)40-19-32(24)38/h5,8,14-17,19,26-29,39H,3-4,6-7,9-13,18,20-21H2,1-2H3/t27-,28-,29+/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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					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))	BDBM50328853 ((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H41Cl3N2O4/c1-23-18-32(37)34(33(38)19-23)44-17-16-43-28-10-6-25(7-11-28)29-13-14-39-21-30(29)35(41)40(27-8-9-27)22-26-20-24(4-3-15-42-2)5-12-31(26)36/h5-7,10-12,18-20,27,29-30,39H,3-4,8-9,13-17,21-22H2,1-2H3/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50328853 ((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C35H41Cl3N2O4/c1-23-18-32(37)34(33(38)19-23)44-17-16-43-28-10-6-25(7-11-28)29-13-14-39-21-30(29)35(41)40(27-8-9-27)22-26-20-24(4-3-15-42-2)5-12-31(26)36/h5-7,10-12,18-20,27,29-30,39H,3-4,8-9,13-17,21-22H2,1-2H3/t29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50328865 ((3S,4R)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H39Cl3N2O5/c1-22-17-30(36)32(31(37)18-22)44-16-15-43-27-8-4-25(5-9-27)34(41)12-13-38-20-28(34)33(40)39(26-6-7-26)21-24-19-23(11-14-42-2)3-10-29(24)35/h3-5,8-10,17-19,26,28,38,41H,6-7,11-16,20-21H2,1-2H3/t28-,34+/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	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6286-90 (2010) Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50328865 ((3S,4R)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy...) Show SMILES COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H39Cl3N2O5/c1-22-17-30(36)32(31(37)18-22)44-16-15-43-27-8-4-25(5-9-27)34(41)12-13-38-20-28(34)33(40)39(26-6-7-26)21-24-19-23(11-14-42-2)3-10-29(24)35/h3-5,8-10,17-19,26,28,38,41H,6-7,11-16,20-21H2,1-2H3/t28-,34+/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	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50259431 ((1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-pro...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(Cc1cccc(C)c1C)C1CC1 |r,wU:22.31,wD:26.30,t:22,TLB:17:20:28:24.23.25,29:24:28:21.20.27,THB:32:21:28:24.23.25,(20.07,-.99,;20.84,.34,;20.06,1.68,;20.83,3.01,;20.05,4.34,;18.5,4.32,;17.75,2.99,;18.52,1.68,;17.75,.34,;16.21,.33,;15.45,-1,;13.91,-1.01,;13.14,-2.35,;11.6,-2.35,;10.84,-3.69,;11.61,-5.02,;10.85,-6.36,;9.31,-6.36,;8.53,-5.04,;9.29,-3.7,;8.43,-7.11,;7.35,-7.12,;8.07,-8.63,;9.88,-8.96,;10.99,-8.33,;10.45,-9.8,;8.73,-9.46,;9.08,-8.04,;7.54,-10.09,;12.29,-7.51,;13.66,-8.22,;12.23,-5.97,;5.82,-7.06,;5.09,-5.7,;5,-8.37,;3.46,-8.31,;2.64,-9.62,;3.37,-10.97,;2.56,-12.27,;1.01,-12.22,;.29,-10.86,;-1.25,-10.8,;1.11,-9.55,;.39,-8.19,;5.72,-9.73,;5.67,-11.26,;7.03,-10.54,)| Show InChI InChI=1S/C39H47N3O5/c1-26-9-7-11-30(27(26)2)22-42(33-15-16-33)39(44)38-35(21-32-23-41(28(3)43)24-36(38)40-32)29-13-17-34(18-14-29)47-20-8-19-46-25-31-10-5-6-12-37(31)45-4/h5-7,9-14,17-18,32-33,36,40H,8,15-16,19-25H2,1-4H3/t32-,36-/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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair				3D Structure (docked)

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