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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 = 'BDBM50113892'   
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))
BDBM50113892
PNG
(5-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...)
Show SMILES CN(C)C(=O)c1cc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)ccc1O
Show InChI InChI=1S/C22H20F2N4O4/c1-11-17(23)20(31-13-6-4-5-12(9-13)19(25)26)27-21(18(11)24)32-14-7-8-16(29)15(10-14)22(30)28(2)3/h4-10,29H,1-3H3,(H3,25,26)
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PC cid
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PubMed
2.00E+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))
BDBM50113892
PNG
(5-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-meth...)
Show SMILES CN(C)C(=O)c1cc(Oc2nc(Oc3cccc(c3)C(N)=N)c(F)c(C)c2F)ccc1O
Show InChI InChI=1S/C22H20F2N4O4/c1-11-17(23)20(31-13-6-4-5-12(9-13)19(25)26)27-21(18(11)24)32-14-7-8-16(29)15(10-14)22(30)28(2)3/h4-10,29H,1-3H3,(H3,25,26)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+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