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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B2' and Ligand = 'BDBM50197537'   
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))
BDBM50197537
PNG
(CHEMBL3924916)
Show SMILES C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:18:19:22:26.25.24,THB:20:19:22.21.26:24,20:21:24:28.19.27,27:19:22:26.25.24,27:25:22:28.19.20|
Show InChI InChI=1S/C19H34N4O5S/c1-12(22-29(27,28)23-16(18(25)26)4-2-3-5-20)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22-23H,2-11,20H2,1H3,(H,21,24)(H,25,26)/t12-,13?,14?,15?,16-,19?/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin 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