Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50287364'   

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))	BDBM50287364 ((2R,4S,5S)-5-Amino-4-hydroxy-2,7,7-trimethyl-9-nap...) Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1ccc2ccccc2c1 Show InChI InChI=1S/C26H40N2O2/c1-5-6-15-28-25(30)19(2)16-24(29)23(27)18-26(3,4)14-13-20-11-12-21-9-7-8-10-22(21)17-20/h7-12,17,19,23-24,29H,5-6,13-16,18,27H2,1-4H3,(H,28,30)/t19-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity was tested against purified human renin at pH 7.2				Bioorg Med Chem Lett 6: 1589-1594 (1996) Article DOI: 10.1016/S0960-894X(96)00279-X BindingDB Entry DOI: 10.7270/Q2154H0C
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