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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B2' and Ligand = 'BDBM50197558'   
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))
BDBM50197558
PNG
(CHEMBL3928428)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCN)C(O)=O |r,THB:10:8:5.4:1|
Show InChI InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-5-4-6-9-16)28-34(32,33)27-18(22(30)31)10-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 1.10E+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