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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 = 'BDBM50140387'   
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))
BDBM50140387
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)N2CCCCC2=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H23ClN4O2/c1-17-14-24(31(29-17)23-10-6-18-15-20(27)7-5-19(18)16-23)26(33)28-21-8-11-22(12-9-21)30-13-3-2-4-25(30)32/h5-12,14-16H,2-4,13H2,1H3,(H,28,33)
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PC cid
PC sid
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Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 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))
BDBM50140387
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)N2CCCCC2=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C26H23ClN4O2/c1-17-14-24(31(29-17)23-10-6-18-15-20(27)7-5-19(18)16-23)26(33)28-21-8-11-22(12-9-21)30-13-3-2-4-25(30)32/h5-12,14-16H,2-4,13H2,1H3,(H,28,33)
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KEGG

UniProtKB/SwissProt

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

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