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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 = 'BDBM50140369'   
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))
BDBM50140369
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H20ClFN4O3S/c1-16-12-25(33(32-16)21-10-7-17-13-20(28)9-6-18(17)14-21)27(34)31-24-11-8-19(15-23(24)29)22-4-2-3-5-26(22)37(30,35)36/h2-15H,1H3,(H,31,34)(H2,30,35,36)
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Article
PubMed
3.40n/an/an/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))
BDBM50140369
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C27H20ClFN4O3S/c1-16-12-25(33(32-16)21-10-7-17-13-20(28)9-6-18(17)14-21)27(34)31-24-11-8-19(15-23(24)29)22-4-2-3-5-26(22)37(30,35)36/h2-15H,1H3,(H,31,34)(H2,30,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3n/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