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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50044231'   
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))
BDBM50044231
PNG
(2-Benzyl-N-(4-cyclohexylmethyl-3-hydroxy-13-morpho...)
Show SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)NC1CSCCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C36H57N3O8S2/c1-36(2,3)49(44,45)25-28(21-26-11-6-4-7-12-26)33(41)38-31-24-48-20-10-15-29(23-39-16-18-46-19-17-39)47-35(43)32(40)30(37-34(31)42)22-27-13-8-5-9-14-27/h4,6-7,11-12,27-32,40H,5,8-10,13-25H2,1-3H3,(H,37,42)(H,38,41)/t28-,29-,30+,31?,32-/m1/s1
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Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair