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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50113913'   
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))
BDBM50113913
PNG
(3-[6-(3-Dimethylamino-phenoxy)-3,5-difluoro-4-meth...)
Show SMILES CN(C)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(C)c2F)c1
Show InChI InChI=1S/C21H20F2N4O3/c1-11-17(22)20(29-14-6-4-5-13(10-14)27(2)3)26-21(18(11)23)30-16-9-12(19(24)25)7-8-15(16)28/h4-10,28H,1-3H3,(H3,24,25)
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PubMed
3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory constant against human coagulation factor Xa (fXa)


J Med Chem 45: 2484-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0FTH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50113913
PNG
(3-[6-(3-Dimethylamino-phenoxy)-3,5-difluoro-4-meth...)
Show SMILES CN(C)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(C)c2F)c1
Show InChI InChI=1S/C21H20F2N4O3/c1-11-17(22)20(29-14-6-4-5-13(10-14)27(2)3)26-21(18(11)23)30-16-9-12(19(24)25)7-8-15(16)28/h4-10,28H,1-3H3,(H3,24,25)
PDB
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PC sid
UniChem

Patents


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Article
PubMed
3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human Coagulation factor X was determined


J Med Chem 46: 5691-9 (2003)


Article DOI: 10.1021/jm030288d
BindingDB Entry DOI: 10.7270/Q23J3CCP
More data for this
Ligand-Target Pair