Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18026'   

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))	BDBM18026 (2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]prop...) Show SMILES CCC(=O)OCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r| Show InChI InChI=1S/C36H45N3O7/c1-3-36(41)45-21-18-38-17-6-9-27-11-14-32(22-33(27)38)46-26-30-23-37-24-35(40)39(30)29-12-15-31(16-13-29)44-20-7-19-43-25-28-8-4-5-10-34(28)42-2/h4-5,8,10-16,22,30,37H,3,6-7,9,17-21,23-26H2,1-2H3/t30-/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	9	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 Lett 16: 2500-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.084 BindingDB Entry DOI: 10.7270/Q26D5R7R
					More data for this Ligand-Target Pair				3D Structure (docked)