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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase A1' and Ligand = 'BDBM50279954'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50279954
PNG
(3-(3-Fluoro-phenyl)-2-mercaptomethyl-propionic aci...)
Show SMILES OC(=O)C(CS)Cc1cccc(F)c1
Show InChI InChI=1S/C10H11FO2S/c11-9-3-1-2-7(5-9)4-8(6-14)10(12)13/h1-3,5,8,14H,4,6H2,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate


Bioorg Med Chem Lett 1: 317-322 (1991)


Article DOI: 10.1016/S0960-894X(01)80816-7
BindingDB Entry DOI: 10.7270/Q2VH5NR5
More data for this
Ligand-Target Pair