Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022858'   

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))	BDBM50022858 (CHEMBL103365 | His-Sta-Leu-Phe-NH2) Show SMILES CC(C)CC(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H45N7O5/c1-17(2)10-22(35-28(40)21(30)13-20-15-32-16-33-20)25(37)14-26(38)34-24(11-18(3)4)29(41)36-23(27(31)39)12-19-8-6-5-7-9-19/h5-9,15-18,21-25,37H,10-14,30H2,1-4H3,(H2,31,39)(H,32,33)(H,34,38)(H,35,40)(H,36,41)/t21-,22?,23-,24-,25?/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	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description In vitro inhibitory activity towards porcine kidney renin				J Med Chem 31: 18-30 (1988) BindingDB Entry DOI: 10.7270/Q2C53MDQ
					More data for this Ligand-Target Pair