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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 = 'BDBM50114436'   
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))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 1221-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.053
BindingDB Entry DOI: 10.7270/Q2VD6XV5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114436
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H21ClN4O3S/c1-17-14-25(32(31-17)23-13-9-19-15-21(28)10-6-20(19)16-23)27(33)30-22-11-7-18(8-12-22)24-4-2-3-5-26(24)36(29,34)35/h2-16H,1H3,(H,30,33)(H2,29,34,35)
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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 11n/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