Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022644'   

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))	BDBM50022644 (CHEMBL73712 | Piperazine-1-carboxylic acid {1-[1-(...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCNCC1 Show InChI InChI=1S/C34H53N7O5/c1-23(2)17-30(42)31(43)27(18-24-9-5-3-6-10-24)38-33(45)29(20-26-21-36-22-37-26)39-32(44)28(19-25-11-7-4-8-12-25)40-34(46)41-15-13-35-14-16-41/h4,7-8,11-12,21-24,27-31,35,42-43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t27-,28-,29-,30-,31+/m0/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	0.650	n/a	n/a	n/a	n/a	6.0	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human plasma renin (pH 7.4)				J Med Chem 31: 2277-88 (1989) BindingDB Entry DOI: 10.7270/Q2PG1QQ4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022644 (CHEMBL73712 | Piperazine-1-carboxylic acid {1-[1-(...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCNCC1 Show InChI InChI=1S/C34H53N7O5/c1-23(2)17-30(42)31(43)27(18-24-9-5-3-6-10-24)38-33(45)29(20-26-21-36-22-37-26)39-32(44)28(19-25-11-7-4-8-12-25)40-34(46)41-15-13-35-14-16-41/h4,7-8,11-12,21-24,27-31,35,42-43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t27-,28-,29-,30-,31+/m0/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	4.5	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human plasma renin (pH 7.4)				J Med Chem 31: 2277-88 (1989) BindingDB Entry DOI: 10.7270/Q2PG1QQ4
					More data for this Ligand-Target Pair