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BDBM50195879 3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-7-yl)benzenesulfonamide::CHEMBL241517

SMILES: Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12

InChI Key: InChIKey=PILHXMMEJPSZLL-UHFFFAOYSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50195879   
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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of IKK2


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of GSK3b


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of Akt3


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK2


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a 21n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-Tie2 by HTRF method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-VEGFR2 by HTRF method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair