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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxypeptidase B2' and Ligand = 'BDBM50197551'   
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))
BDBM50197551
PNG
(CHEMBL3943884)
Show SMILES NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O |r,TLB:14:15:18:22.21.20,THB:16:15:18.17.22:20,16:17:20:24.15.23,23:15:18:22.21.20,23:21:18:24.15.16|
Show InChI InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
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 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