Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50328847'   

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))	BDBM50328847 ((3R,4S)-N-(2-chloro-5-(2-(cyclopropylamino)ethyl)b...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCNC3CC3)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl3N3O3/c1-23-18-33(38)35(34(39)19-23)45-17-16-44-29-9-3-25(4-10-29)30-13-14-40-21-31(30)36(43)42(28-7-8-28)22-26-20-24(2-11-32(26)37)12-15-41-27-5-6-27/h2-4,9-11,18-20,27-28,30-31,40-41H,5-8,12-17,21-22H2,1H3/t30-,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	0.560	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))	BDBM50328847 ((3R,4S)-N-(2-chloro-5-(2-(cyclopropylamino)ethyl)b...) Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCNC3CC3)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl3N3O3/c1-23-18-33(38)35(34(39)19-23)45-17-16-44-29-9-3-25(4-10-29)30-13-14-40-21-31(30)36(43)42(28-7-8-28)22-26-20-24(2-11-32(26)37)12-15-41-27-5-6-27/h2-4,9-11,18-20,27-28,30-31,40-41H,5-8,12-17,21-22H2,1H3/t30-,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	8.20	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)