Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50045690'   

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))	BDBM50045690 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES O[C@@H](CCc1ccccn1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C38H52N6O6/c45-34(15-14-30-13-7-8-16-40-30)36(47)32(22-28-11-5-2-6-12-28)42-38(49)33(24-31-25-39-26-41-31)43-37(48)29(21-27-9-3-1-4-10-27)23-35(46)44-17-19-50-20-18-44/h1,3-4,7-10,13,16,25-26,28-29,32-34,36,45,47H,2,5-6,11-12,14-15,17-24H2,(H,39,41)(H,42,49)(H,43,48)/t29-,32+,33+,34+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Selectivity against guinea pig plasma renin				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50045690 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) Show SMILES O[C@@H](CCc1ccccn1)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 Show InChI InChI=1S/C38H52N6O6/c45-34(15-14-30-13-7-8-16-40-30)36(47)32(22-28-11-5-2-6-12-28)42-38(49)33(24-31-25-39-26-41-31)43-37(48)29(21-27-9-3-1-4-10-27)23-35(46)44-17-19-50-20-18-44/h1,3-4,7-10,13,16,25-26,28-29,32-34,36,45,47H,2,5-6,11-12,14-15,17-24H2,(H,39,41)(H,42,49)(H,43,48)/t29-,32+,33+,34+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of renin in human plasma				J Med Chem 36: 2788-800 (1993) BindingDB Entry DOI: 10.7270/Q24J0D61
					More data for this Ligand-Target Pair