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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 = 'BDBM50114450'   
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))
BDBM50114450
PNG
(2-(3-Carbamimidoyl-naphthalen-2-yl)-5-methyl-2H-py...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
Show InChI InChI=1S/C28H24N6O3S/c1-17-14-25(34(33-17)24-16-20-7-3-2-6-19(20)15-23(24)27(29)30)28(35)32-21-12-10-18(11-13-21)22-8-4-5-9-26(22)38(31,36)37/h2-16H,1H3,(H3,29,30)(H,32,35)(H2,31,36,37)
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n/an/a 21n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor Xa


Bioorg Med Chem Lett 12: 1651-5 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair