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BDBM50311917 CHEMBL1079945::N-(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-(trifluoromethyl)benzamide

SMILES: Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

InChI Key: InChIKey=OBLWMYNSTHSSDS-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50311917   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311917
PNG
(CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)
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n/an/a 11n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50311917
PNG
(CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)
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n/an/a 661n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused InsR expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311917
PNG
(CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)
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n/an/a 78n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused SRC expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50311917
PNG
(CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)
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n/an/a 36n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused KDR expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50311917
PNG
(CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)
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n/an/a 43n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of HCK


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311917
PNG
(CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)
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n/an/a 7n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused LCK expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50311917
PNG
(CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)
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n/an/a 14n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused LYN expressed in mouse BAF3 cells


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311917
PNG
(CHEMBL1079945 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
Show InChI InChI=1S/C26H20F3N7O/c1-15-9-10-18(33-24(37)16-5-4-6-17(11-16)26(27,28)29)12-20(15)35-25-34-19-7-2-3-8-21(19)36(25)23-13-22(30)31-14-32-23/h2-14H,1H3,(H,33,37)(H,34,35)(H2,30,31,32)
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n/an/a 450n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 19: 6691-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.123
BindingDB Entry DOI: 10.7270/Q2Q52PRR
More data for this
Ligand-Target Pair