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Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XIII' and Ligand = 'BDBM50420461'   
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
Coagulation factor XIII


(Homo sapiens (Human))
BDBM50420461
PNG
(CHEMBL2089398)
Show SMILES C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H25N3O5S/c1-2-21(26)23-18-8-10-20(11-9-18)31(28,29)25-14-12-19(13-15-25)24-22(27)30-16-17-6-4-3-5-7-17/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
PDB
MMDB

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Article
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n/an/a 310n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of thrombin activated human F13a by fluorescent transamidation assay


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
More data for this
Ligand-Target Pair