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PubMed code 24773549

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Cdk1/cyclin B (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Kit (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG after 60 mins by competitive binding assay


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of IGF-1R (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of B-Raf (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of aurora B (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of Nek2 (unknown origin)


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50015314
PNG
(CHEMBL3263869)
Show SMILES COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
Show InChI InChI=1S/C24H20FN3O3S/c1-14-10-19(31-18-6-4-17(30-3)5-7-18)11-15(2)22(14)20-13-32-24(27-20)28-23(29)16-8-9-26-21(25)12-16/h4-13H,1-3H3,(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis


J Med Chem 57: 4098-110 (2014)


Article DOI: 10.1021/jm401990s
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%