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BDBM50022356 CHEMBL309127::CHEMBL63482::{1-[1-(1-Cyclohexylmethyl-3-cyclohexylsulfanyl-2-hydroxy-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1

InChI Key: InChIKey=ZFLXSLWPWICHNH-YDPTYEFTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022356   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50022356
PNG
(CHEMBL309127 | CHEMBL63482 | {1-[1-(1-Cyclohexylme...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1
Show InChI InChI=1S/C36H55N5O5S/c1-36(2,3)46-35(45)41-30(20-26-15-9-5-10-16-26)33(43)40-31(21-27-22-37-24-38-27)34(44)39-29(19-25-13-7-4-8-14-25)32(42)23-47-28-17-11-6-12-18-28/h5,9-10,15-16,22,24-25,28-32,42H,4,6-8,11-14,17-21,23H2,1-3H3,(H,37,38)(H,39,44)(H,40,43)(H,41,45)/t29-,30-,31-,32-/m0/s1
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair