BindingDB logo
myBDB logout

BDBM50002966 CHEMBL115430::{1-[1-(1-Cyclohexylmethyl-2-hydroxy-3-phenylcarbamoyl-propylcarbamoyl)-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)CC(=O)Nc1ccccc1

InChI Key: InChIKey=CGBAPJGYOGMQRS-SGJXLTBMSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002966   
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))
BDBM50002966
PNG
(CHEMBL115430 | {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)CC(=O)Nc1ccccc1
Show InChI InChI=1S/C37H50N6O6/c1-37(2,3)49-36(48)43-30(20-26-15-9-5-10-16-26)34(46)42-31(21-28-23-38-24-39-28)35(47)41-29(19-25-13-7-4-8-14-25)32(44)22-33(45)40-27-17-11-6-12-18-27/h5-6,9-12,15-18,23-25,29-32,44H,4,7-8,13-14,19-22H2,1-3H3,(H,38,39)(H,40,45)(H,41,47)(H,42,46)(H,43,48)/t29?,30-,31-,32?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/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