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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B2' and Ligand = 'BDBM50197560'   
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 B2


(Homo sapiens (Human))
BDBM50197560
PNG
(CHEMBL3894238)
Show SMILES NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C21H40N4O5S/c22-14-8-7-13-18(21(27)28)24-31(29,30)25-19(15-16-9-3-1-4-10-16)20(26)23-17-11-5-2-6-12-17/h16-19,24-25H,1-15,22H2,(H,23,26)(H,27,28)/t18-,19-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay


J Med Chem 59: 9567-9573 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01276
BindingDB Entry DOI: 10.7270/Q2MG7RG2
More data for this
Ligand-Target Pair