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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B2' and Ligand = 'BDBM50089695'   
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))
BDBM50089695
PNG
(CHEMBL3577329)
Show SMILES CCC(C)C(C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C22H42N4O4/c1-4-15(2)16(3)24-20(27)19(14-17-10-6-5-7-11-17)26-22(30)25-18(21(28)29)12-8-9-13-23/h15-19H,4-14,23H2,1-3H3,(H,24,27)(H,28,29)(H2,25,26,30)/t15?,16?,18-,19+/m0/s1
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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Institute for Infection Research

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay


J Med Chem 58: 4839-44 (2015)


Article DOI: 10.1021/jm501840b
BindingDB Entry DOI: 10.7270/Q24B3314
More data for this
Ligand-Target Pair