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BDBM50020821 CHEMBL113612::[Cyclopentyl-(4-mercapto-benzoyl)-amino]-acetic acid

SMILES: OC(=O)CN(C1CCCC1)C(=O)c1ccc(S)cc1

InChI Key: InChIKey=XCLALVOKJAHCDY-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020821   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020821
PNG
(CHEMBL113612 | [Cyclopentyl-(4-mercapto-benzoyl)-a...)
Show SMILES OC(=O)CN(C1CCCC1)C(=O)c1ccc(S)cc1
Show InChI InChI=1S/C14H17NO3S/c16-13(17)9-15(11-3-1-2-4-11)14(18)10-5-7-12(19)8-6-10/h5-8,11,19H,1-4,9H2,(H,16,17)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme


J Med Chem 28: 328-32 (1985)


BindingDB Entry DOI: 10.7270/Q2DN45MJ
More data for this
Ligand-Target Pair