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BDBM50022381 CHEMBL3142207::CHEMBL66213::{1-[1-[1-Cyclohexylmethyl-2-hydroxy-3-(propane-2-sulfonyl)-propylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid ethyl ester

SMILES: CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C

InChI Key: InChIKey=SUGXSTKXEOJPRE-LJWNLINESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022381   
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))
BDBM50022381
PNG
(CHEMBL3142207 | CHEMBL66213 | {1-[1-[1-Cyclohexylm...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C
Show InChI InChI=1S/C31H47N5O7S/c1-4-43-31(40)36-26(16-23-13-9-6-10-14-23)29(38)35-27(17-24-18-32-20-33-24)30(39)34-25(15-22-11-7-5-8-12-22)28(37)19-44(41,42)21(2)3/h6,9-10,13-14,18,20-22,25-28,37H,4-5,7-8,11-12,15-17,19H2,1-3H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t25-,26-,27-,28-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5n/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