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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 = 'BDBM35765'   
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))
BDBM35765
PNG
(cis-1,2-diaminocyclohexane derivative, 5f)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3nn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
Show InChI InChI=1S/C26H30ClN7O3S/c1-33(2)26(37)15-5-7-17(28-23(35)21-10-14-4-6-16(27)12-19(14)31-32-21)20(11-15)29-24(36)25-30-18-8-9-34(3)13-22(18)38-25/h4,6,10,12,15,17,20H,5,7-9,11,13H2,1-3H3,(H,28,35)(H,29,36)/t15-,17-,20+/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 3.30n/an/an/an/a7.423



Daiichi Sankyo Co, Ltd



Assay Description
The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...


Bioorg Med Chem 17: 8221-33 (2009)


Article DOI: 10.1016/j.bmc.2009.10.024
BindingDB Entry DOI: 10.7270/Q2CC0Z1V
More data for this
Ligand-Target Pair