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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 = 'BDBM50140424'   
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))
BDBM50140424
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
Show InChI InChI=1S/C24H21ClFN5O/c1-14-10-22(24(32)28-21-9-6-17(13-20(21)26)23(27)30(2)3)31(29-14)19-8-5-15-11-18(25)7-4-16(15)12-19/h4-13,27H,1-3H3,(H,28,32)
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Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140424
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
Show InChI InChI=1S/C24H21ClFN5O/c1-14-10-22(24(32)28-21-9-6-17(13-20(21)26)23(27)30(2)3)31(29-14)19-8-5-15-11-18(25)7-4-16(15)12-19/h4-13,27H,1-3H3,(H,28,32)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair