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BDBM50002968 CHEMBL117799::{1-[1-[1-Cyclohexylmethyl-2-hydroxy-5-(pyridin-2-ylsulfanyl)-pentylcarbamoyl]-2-(3H-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](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CCCSc1ccccn1

InChI Key: InChIKey=SQVHGRVONUSHGR-SGJXLTBMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002968   
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))
BDBM50002968
PNG
(CHEMBL117799 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CCCSc1ccccn1
Show InChI InChI=1S/C37H52N6O5S/c1-37(2,3)48-36(47)43-30(22-27-15-8-5-9-16-27)34(45)42-31(23-28-24-38-25-40-28)35(46)41-29(21-26-13-6-4-7-14-26)32(44)17-12-20-49-33-18-10-11-19-39-33/h5,8-11,15-16,18-19,24-26,29-32,44H,4,6-7,12-14,17,20-23H2,1-3H3,(H,38,40)(H,41,46)(H,42,45)(H,43,47)/t29?,30-,31-,32?/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 310n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair