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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 = 'BDBM50113586'   
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))
BDBM50113586
PNG
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)
Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C23H20ClFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+
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PC cid
PC sid
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PubMed
n/an/a 0.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration to coagulation factor X


Bioorg Med Chem Lett 13: 297-300 (2002)


BindingDB Entry DOI: 10.7270/Q2XD112T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50113586
PNG
((E)-3-(3-Carbamimidoyl-phenyl)-2-fluoro-but-2-enoi...)
Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C23H20ClFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.5n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against factor Xa


Bioorg Med Chem Lett 12: 1511-5 (2002)


BindingDB Entry DOI: 10.7270/Q2P84B6X
More data for this
Ligand-Target Pair