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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50211567'   
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 X


(Homo sapiens (Human))
BDBM50211567
PNG
((R)-N-[(S)-1-(2-aminomethyl-5-chloro-benzylcarbamo...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C27H32ClN5O6S/c28-22-10-9-20(15-29)21(14-22)16-30-26(35)25(17-34)31-27(36)24(12-11-23-8-4-5-13-33(23)37)32-40(38,39)18-19-6-2-1-3-7-19/h1-10,13-14,24-25,32,34H,11-12,15-18,29H2,(H,30,35)(H,31,36)/t24-,25+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
0.0590n/an/an/an/an/an/an/an/a



Curacyte Discovery GmbH

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 17: 3322-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.105
BindingDB Entry DOI: 10.7270/Q2NG4Q9K
More data for this
Ligand-Target Pair