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BDBM50022358 CHEMBL3142234::CHEMBL67107::{1-[1-(1-Cyclohexylmethyl-2-hydroxy-3-methylsulfanyl-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=KKLAPKXHEWFDJD-FWEHEUNISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022358   
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))
BDBM50022358
PNG
(CHEMBL3142234 | CHEMBL67107 | {1-[1-(1-Cyclohexylm...)
Show SMILES CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H47N5O5S/c1-31(2,3)41-30(40)36-25(16-22-13-9-6-10-14-22)28(38)35-26(17-23-18-32-20-33-23)29(39)34-24(27(37)19-42-4)15-21-11-7-5-8-12-21/h6,9-10,13-14,18,20-21,24-27,37H,5,7-8,11-12,15-17,19H2,1-4H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-/m0/s1
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 10n/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