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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50006436'   
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))
BDBM50006436
PNG
(CHEMBL66684 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-...)
Show SMILES Cn1cnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H48N8O5S/c1-33(2,3)46-32(45)39-26(16-23-13-9-6-10-14-23)29(43)38-27(17-24-18-34-20-35-24)30(44)37-25(15-22-11-7-5-8-12-22)28(42)19-47-31-40-36-21-41(31)4/h6,9-10,13-14,18,20-22,25-28,42H,5,7-8,11-12,15-17,19H2,1-4H3,(H,34,35)(H,37,44)(H,38,43)(H,39,45)/t25-,26-,27-,28-/m0/s1
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Similars

Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of human plasma renin.


J Med Chem 35: 2103-12 (1992)


Article DOI: 10.1021/jm00089a023
BindingDB Entry DOI: 10.7270/Q2QC02FK
More data for this
Ligand-Target Pair