Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18008'   

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))	BDBM18008 (1,4-benzoxazin-3-one, 45 | 6-(2,4-diamino-6-ethylp...) Show SMILES CCOCCCN1C(=O)C(C)(Oc2ccc(cc12)-c1c(N)nc(N)nc1CC)c1cc(F)cc(F)c1 Show InChI InChI=1S/C26H29F2N5O3/c1-4-19-22(23(29)32-25(30)31-19)15-7-8-21-20(11-15)33(9-6-10-35-5-2)24(34)26(3,36-21)16-12-17(27)14-18(28)13-16/h7-8,11-14H,4-6,9-10H2,1-3H3,(H4,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
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 15: 5912-49 (2007) Article DOI: 10.1016/j.bmc.2007.05.069 BindingDB Entry DOI: 10.7270/Q2FX77QX
					More data for this Ligand-Target Pair				3D Structure (docked)