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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 = 'BDBM50194744'   
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


(Bos taurus)
BDBM50194744
PNG
(CHEMBL385897 | diphenyl 1-[(N-naphthalenesulfonyl-...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1
Show InChI InChI=1S/C37H39N6O8PS/c1-25(40-36(46)32(24-44)43-53(48,49)33-18-10-12-27-11-8-9-17-31(27)33)35(45)42-34(23-26-19-21-28(22-20-26)41-37(38)39)52(47,50-29-13-4-2-5-14-29)51-30-15-6-3-7-16-30/h2-22,25,32,34,43-44H,23-24H2,1H3,(H,40,46)(H,42,45)(H4,38,39,41)/t25-,32+,34?/m0/s1
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Similars

Article
PubMed
n/an/a 9.60E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of bovine F10a


J Med Chem 49: 5785-93 (2006)


Article DOI: 10.1021/jm060622g
BindingDB Entry DOI: 10.7270/Q2SF2VT3
More data for this
Ligand-Target Pair