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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 = 'BDBM35773'   
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))
BDBM35773
PNG
(cis-1,2-diaminocyclohexane derivative, 48)
Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1 |r|
Show InChI InChI=1S/C25H29ClN6O3S/c1-31(2)25(35)13-4-6-17(28-22(33)19-10-14-8-15(26)5-7-16(14)27-19)18(9-13)29-23(34)24-30-20-11-32(3)12-21(20)36-24/h5,7-8,10,13,17-18,27H,4,6,9,11-12H2,1-3H3,(H,28,33)(H,29,34)/t13-,17-,18+/m0/s1
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Similars

Article
PubMed
n/an/a 3.40n/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