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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 = 'BDBM50146536'   
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))
BDBM50146536
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)
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n/an/a 24n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 47: 5167-82 (2004)


Article DOI: 10.1021/jm049884d
BindingDB Entry DOI: 10.7270/Q2V987JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50146536
PNG
(4-(6-Chloro-naphthalene-2-sulfonyl)-1-(5-methyl-4,...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)N1CCN(CC1C(N)=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
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UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human Coagulation factor X


Bioorg Med Chem Lett 14: 2935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.036
BindingDB Entry DOI: 10.7270/Q2VH5N9B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)