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BDBM50287091 CHEMBL20252::Naphthalene-2-carboxylic acid [4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-amide

SMILES: Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1

InChI Key: InChIKey=UDHQGXCXSRGAPA-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 50287091   
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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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 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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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n/an/a 200n/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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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 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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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 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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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
Bcr-Abl


(Homo sapiens (Human))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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PubMed
n/an/a 200n/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
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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n/an/a 50n/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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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(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))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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n/an/a 50n/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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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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