Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM17961'   

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))	BDBM17961 ((2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phe...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C32H36N2O4/c1-35-32-10-5-4-9-27(32)23-36-19-6-20-37-30-15-12-28(13-16-30)34-18-17-33-22-29(34)24-38-31-14-11-25-7-2-3-8-26(25)21-31/h2-5,7-16,21,29,33H,6,17-20,22-24H2,1H3/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...				Bioorg Med Chem 13: 2657-64 (2005) Article DOI: 10.1016/j.bmc.2005.01.048 BindingDB Entry DOI: 10.7270/Q2KP80D6
					More data for this Ligand-Target Pair