Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50328855'   

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))	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))	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	1.40	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				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	1.40	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: 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)