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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM18005'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Renin


(Homo sapiens (Human))		BDBM18005
PNG
(1,4-benzoxazin-3-one, 42 | methyl N-{2-[6-(2,4-dia...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(=O)OC)c2c1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C25H26F2N6O4/c1-4-17-20(21(28)32-23(29)31-17)13-5-6-19-18(9-13)33(8-7-30-24(35)36-3)22(34)25(2,37-19)14-10-15(26)12-16(27)11-14/h5-6,9-12H,4,7-8H2,1-3H3,(H,30,35)(H4,28,29,31,32)
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n/an/a 2n/an/an/an/an/an/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