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BDBM50411406 CHEMBL232601

SMILES: O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12

InChI Key: InChIKey=KTBZRPANEUUZDW-UHFFFAOYSA-N

Data: 15 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 15 hits for monomerid = 50411406   
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Alk5


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of VegFr2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cFms


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length JNK1alpha1


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human JNK2alpha2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase p38alpha


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length ERK2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair