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BDBM50009623 CHEMBL330455::[1-(7-Cyclohexylmethyl-6-hydroxy-9,13-dioxo-1,4-dioxa-8,14-diaza-spiro[4.12]heptadec-10-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCC2(OCCO2)[C@H](O)[C@H](CC2CCCCC2)NC1=O

InChI Key: InChIKey=WZKOVMBSHSOODL-PFWSVGDOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50009623   
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))
BDBM50009623
PNG
(CHEMBL330455 | [1-(7-Cyclohexylmethyl-6-hydroxy-9,...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCC2(OCCO2)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C34H52N4O8/c1-33(2,3)46-32(43)38-27(22-24-13-8-5-9-14-24)31(42)36-25-15-16-28(39)35-18-10-17-34(44-19-20-45-34)29(40)26(37-30(25)41)21-23-11-6-4-7-12-23/h5,8-9,13-14,23,25-27,29,40H,4,6-7,10-12,15-22H2,1-3H3,(H,35,39)(H,36,42)(H,37,41)(H,38,43)/t25-,26-,27-,29+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for inhibition of human plasma renin at pH 7.4.


J Med Chem 34: 2692-701 (1991)


Article DOI: 10.1021/jm00113a005
BindingDB Entry DOI: 10.7270/Q2P26X4R
More data for this
Ligand-Target Pair