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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50451341'   
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))		BDBM50451341
PNG
(CHEMBL4217169)
Show SMILES [H][C@]1(CCCN(C1)C(=O)CCC1CCNCC1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r|
Show InChI InChI=1S/C33H46FN3O4/c1-3-24-8-4-9-26(22-24)31-28(11-5-12-29(31)34)33(40,17-7-18-36-32(39)41-2)27-10-6-21-37(23-27)30(38)14-13-25-15-19-35-20-16-25/h4-5,8-9,11-12,22,25,27,35,40H,3,6-7,10,13-21,23H2,1-2H3,(H,36,39)/t27-,33?/m1/s1
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...

Bioorg Med Chem Lett 27: 4838-4843 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.046
BindingDB Entry DOI: 10.7270/Q2Z60RN0
More data for this
Ligand-Target Pair