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BDBM50287096 2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide::CHEMBL418010

SMILES: COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1

InChI Key: InChIKey=ULUNCQWGUQFHNV-UHFFFAOYSA-N

Data: 14 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50287096   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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Article
n/an/a 8.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C alpha.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of serine/threonine kinase(PKC-alpha)


Bioorg Med Chem Lett 6: 1221-1226 (1996)


Article DOI: 10.1016/0960-894X(96)00197-7
BindingDB Entry DOI: 10.7270/Q2348KBG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of c-Src-tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C delta.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase A.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(c-Src)


Bioorg Med Chem Lett 6: 1221-1226 (1996)


Article DOI: 10.1016/0960-894X(96)00197-7
BindingDB Entry DOI: 10.7270/Q2348KBG
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of serine/threonine kinase(PKC-delta)


Bioorg Med Chem Lett 6: 1221-1226 (1996)


Article DOI: 10.1016/0960-894X(96)00197-7
BindingDB Entry DOI: 10.7270/Q2348KBG
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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PubMed
n/an/a 794n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(PDGF-R)


Bioorg Med Chem Lett 6: 1221-1226 (1996)


Article DOI: 10.1016/0960-894X(96)00197-7
BindingDB Entry DOI: 10.7270/Q2348KBG
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(PDGF-R)


Bioorg Med Chem Lett 6: 1221-1226 (1996)


Article DOI: 10.1016/0960-894X(96)00197-7
BindingDB Entry DOI: 10.7270/Q2348KBG
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase Epidermal growth factor receptor


Bioorg Med Chem Lett 6: 1221-1226 (1996)


Article DOI: 10.1016/0960-894X(96)00197-7
BindingDB Entry DOI: 10.7270/Q2348KBG
More data for this
Ligand-Target Pair