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BDBM50311942 CHEMBL1087636::N-(3-(1-(6-(2-aminoethylamino)pyrimidin-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(NCCN)ncn1

InChI Key: InChIKey=KIMGPUJDZNAMSM-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50311942   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311942
PNG
(CHEMBL1087636 | N-(3-(1-(6-(2-aminoethylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Show InChI InChI=1S/C28H25F3N8O/c1-17-9-10-20(36-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)38-27-37-21-7-2-3-8-23(21)39(27)25-15-24(33-12-11-32)34-16-35-25/h2-10,13-16H,11-12,32H2,1H3,(H,36,40)(H,37,38)(H,33,34,35)
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n/an/a 230n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

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))
BDBM50311942
PNG
(CHEMBL1087636 | N-(3-(1-(6-(2-aminoethylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Show InChI InChI=1S/C28H25F3N8O/c1-17-9-10-20(36-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)38-27-37-21-7-2-3-8-23(21)39(27)25-15-24(33-12-11-32)34-16-35-25/h2-10,13-16H,11-12,32H2,1H3,(H,36,40)(H,37,38)(H,33,34,35)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311942
PNG
(CHEMBL1087636 | N-(3-(1-(6-(2-aminoethylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Show InChI InChI=1S/C28H25F3N8O/c1-17-9-10-20(36-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)38-27-37-21-7-2-3-8-23(21)39(27)25-15-24(33-12-11-32)34-16-35-25/h2-10,13-16H,11-12,32H2,1H3,(H,36,40)(H,37,38)(H,33,34,35)
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n/an/a 470n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

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 HCK


(Homo sapiens (Human))
BDBM50311942
PNG
(CHEMBL1087636 | N-(3-(1-(6-(2-aminoethylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Show InChI InChI=1S/C28H25F3N8O/c1-17-9-10-20(36-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)38-27-37-21-7-2-3-8-23(21)39(27)25-15-24(33-12-11-32)34-16-35-25/h2-10,13-16H,11-12,32H2,1H3,(H,36,40)(H,37,38)(H,33,34,35)
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n/an/a>2.50E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311942
PNG
(CHEMBL1087636 | N-(3-(1-(6-(2-aminoethylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Show InChI InChI=1S/C28H25F3N8O/c1-17-9-10-20(36-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)38-27-37-21-7-2-3-8-23(21)39(27)25-15-24(33-12-11-32)34-16-35-25/h2-10,13-16H,11-12,32H2,1H3,(H,36,40)(H,37,38)(H,33,34,35)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

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))
BDBM50311942
PNG
(CHEMBL1087636 | N-(3-(1-(6-(2-aminoethylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Show InChI InChI=1S/C28H25F3N8O/c1-17-9-10-20(36-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)38-27-37-21-7-2-3-8-23(21)39(27)25-15-24(33-12-11-32)34-16-35-25/h2-10,13-16H,11-12,32H2,1H3,(H,36,40)(H,37,38)(H,33,34,35)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

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 Lyn


(Homo sapiens (Human))
BDBM50311942
PNG
(CHEMBL1087636 | N-(3-(1-(6-(2-aminoethylamino)pyri...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1
Show InChI InChI=1S/C28H25F3N8O/c1-17-9-10-20(36-26(40)18-5-4-6-19(13-18)28(29,30)31)14-22(17)38-27-37-21-7-2-3-8-23(21)39(27)25-15-24(33-12-11-32)34-16-35-25/h2-10,13-16H,11-12,32H2,1H3,(H,36,40)(H,37,38)(H,33,34,35)
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n/an/a 1.47E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

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