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2 similar compounds to monomer 50228930

Compile data set for download or QSAR
Wt: 555.0
BDBM50228950
Wt: 555.0
BDBM50306153

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50228950,50306153   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50228950
PNG
((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H20ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,11,13-14,19,26H,10,12H2,1H3/b13-11+
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306153
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(3-fluoro-2'-(m...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H20ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,11,13-14,19,26H,10,12H2,1H3/b13-11+/t19-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50306153
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(3-fluoro-2'-(m...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H20ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,11,13-14,19,26H,10,12H2,1H3/b13-11+/t19-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by fluorescence assay


Bioorg Med Chem Lett 20: 618-22 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.077
BindingDB Entry DOI: 10.7270/Q24M94NN
More data for this
Ligand-Target Pair