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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50123767   
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))
BDBM50123767
PNG
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1
Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2
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4n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro binding affinity for human Coagulation factor X


J Med Chem 46: 681-4 (2003)


Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50123767
PNG
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1
Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2
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4n/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
Serine protease 1


(Homo sapiens (Human))
BDBM50123767
PNG
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1
Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2
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>2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin


J Med Chem 46: 681-4 (2003)


Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50123767
PNG
(4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(1H-py...)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1
Show InChI InChI=1S/C20H17ClN4O3S2/c21-15-2-1-13-8-20(29-18(13)9-15)30(27,28)25-6-5-24(19(26)12-25)11-16-7-14-10-22-4-3-17(14)23-16/h1-4,7-10,23H,5-6,11-12H2
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antibodypedia
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2.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 46: 681-4 (2003)


Article DOI: 10.1021/jm020384z
BindingDB Entry DOI: 10.7270/Q2KW5FDH
More data for this
Ligand-Target Pair