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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 = 'BDBM13864'   
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))
BDBM13864
PNG
((3-carbamimidoylphenyl)methyl 5-(benzyloxy)-1-[(3-...)
Show SMILES NC(=N)c1cccc(COC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C32H29N5O3/c33-30(34)24-10-4-8-22(14-24)18-37-28-13-12-27(39-19-21-6-2-1-3-7-21)16-26(28)17-29(37)32(38)40-20-23-9-5-11-25(15-23)31(35)36/h1-17H,18-20H2,(H3,33,34)(H3,35,36)
PDB
MMDB

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61n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair