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BDBM50121917 2-Benzyl-pentanedioic acid::CHEMBL153232

SMILES: OC(=O)CCC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=GUUZXORJVABSSF-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121917   
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
Mast cell carboxypeptidase A


(Homo sapiens (Human))
BDBM50121917
PNG
(2-Benzyl-pentanedioic acid | CHEMBL153232)
Show SMILES OC(=O)CCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H14O4/c13-11(14)7-6-10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)(H,15,16)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of Carboxypeptidase A


J Med Chem 45: 5609-16 (2002)


BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair