Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022646'   

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))	BDBM50022646 (CHEMBL307917 | Morpholine-4-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](CCc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C35H54N6O6/c1-24(2)19-31(42)32(43)29(20-26-11-7-4-8-12-26)38-34(45)30(21-27-22-36-23-37-27)39-33(44)28(14-13-25-9-5-3-6-10-25)40-35(46)41-15-17-47-18-16-41/h3,5-6,9-10,22-24,26,28-32,42-43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t28-,29-,30-,31-,32+/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	0.300	n/a	n/a	n/a	n/a	6.0	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human renin (pH 6.0)				J Med Chem 31: 2277-88 (1989) BindingDB Entry DOI: 10.7270/Q2PG1QQ4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022646 (CHEMBL307917 | Morpholine-4-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](CCc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C35H54N6O6/c1-24(2)19-31(42)32(43)29(20-26-11-7-4-8-12-26)38-34(45)30(21-27-22-36-23-37-27)39-33(44)28(14-13-25-9-5-3-6-10-25)40-35(46)41-15-17-47-18-16-41/h3,5-6,9-10,22-24,26,28-32,42-43H,4,7-8,11-21H2,1-2H3,(H,36,37)(H,38,45)(H,39,44)(H,40,46)/t28-,29-,30-,31-,32+/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	2	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