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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 = 'BDBM50140401'   
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))
BDBM50140401
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C28H27FN6O3S/c1-18-13-25(35(32-18)24-14-19-7-5-6-8-20(19)15-26(24)39(4,37)38)28(36)31-23-10-9-21(16-22(23)29)34-12-11-30-27(34)17-33(2)3/h5-16H,17H2,1-4H3,(H,31,36)
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PC cid
PC sid
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Article
PubMed
3.20n/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))
BDBM50140401
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C28H27FN6O3S/c1-18-13-25(35(32-18)24-14-19-7-5-6-8-20(19)15-26(24)39(4,37)38)28(36)31-23-10-9-21(16-22(23)29)34-12-11-30-27(34)17-33(2)3/h5-16H,17H2,1-4H3,(H,31,36)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/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