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BDBM16316 3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl}amino)-N-methoxy-4-methylbenzamide::CHEMBL225088::triaminotriazine aniline amide inhibitor, 1

SMILES: CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1

InChI Key: InChIKey=CFXVMISMBBBSCO-UHFFFAOYSA-N

Data: 1 KI  12 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 13 hits for monomerid = 16316   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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3.70 -11.4n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PKA


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of MK2


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38beta


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Zap70


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human IKK2beta


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair