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BDBM50307987 CHEMBL604712::N-[5-(2,2-Dimethylpropanoyl)-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-3,5-difluorobenzamide

SMILES: CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C

InChI Key: InChIKey=QXBKFUBBGBWPCJ-UHFFFAOYSA-N

Data: 36 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 36 hits for monomerid = 50307987   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of EGFR by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a 450n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a 140n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a 90n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a 60n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a 3.63E+3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of c-ABL by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDC7 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ALK by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of RET by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PDK1 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PAK4 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek6


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of MET


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK2 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of LCK by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of cKit by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IR by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IKK2 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50307987
PNG
(CHEMBL604712 | N-[5-(2,2-Dimethylpropanoyl)-6,6-di...)
Show SMILES CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
Show InChI InChI=1S/C19H22F2N4O2/c1-18(2,3)17(27)25-9-13-14(19(25,4)5)23-24-15(13)22-16(26)10-6-11(20)8-12(21)7-10/h6-8H,9H2,1-5H3,(H2,22,23,24,26)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair