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BDBM50311908 4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-N-m-tolylbenzamide::CHEMBL1076197

SMILES: CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1

InChI Key: InChIKey=QXIYOGPRUCDNIQ-UHFFFAOYSA-N

Data: 7 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50311908   
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))
BDBM50311908
PNG
(4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
Show InChI InChI=1S/C34H39N9O/c1-24-8-6-9-27(20-24)38-33(44)26-13-12-25(2)29(21-26)40-34-39-28-10-4-5-11-30(28)43(34)32-22-31(36-23-37-32)35-14-7-15-42-18-16-41(3)17-19-42/h4-6,8-13,20-23H,7,14-19H2,1-3H3,(H,38,44)(H,39,40)(H,35,36,37)
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n/an/a 337n/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
Insulin receptor


(Homo sapiens (Human))
BDBM50311908
PNG
(4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
Show InChI InChI=1S/C34H39N9O/c1-24-8-6-9-27(20-24)38-33(44)26-13-12-25(2)29(21-26)40-34-39-28-10-4-5-11-30(28)43(34)32-22-31(36-23-37-32)35-14-7-15-42-18-16-41(3)17-19-42/h4-6,8-13,20-23H,7,14-19H2,1-3H3,(H,38,44)(H,39,40)(H,35,36,37)
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n/an/a 3.19E+3n/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
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50311908
PNG
(4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
Show InChI InChI=1S/C34H39N9O/c1-24-8-6-9-27(20-24)38-33(44)26-13-12-25(2)29(21-26)40-34-39-28-10-4-5-11-30(28)43(34)32-22-31(36-23-37-32)35-14-7-15-42-18-16-41(3)17-19-42/h4-6,8-13,20-23H,7,14-19H2,1-3H3,(H,38,44)(H,39,40)(H,35,36,37)
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n/an/a 1.88E+3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50311908
PNG
(4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
Show InChI InChI=1S/C34H39N9O/c1-24-8-6-9-27(20-24)38-33(44)26-13-12-25(2)29(21-26)40-34-39-28-10-4-5-11-30(28)43(34)32-22-31(36-23-37-32)35-14-7-15-42-18-16-41(3)17-19-42/h4-6,8-13,20-23H,7,14-19H2,1-3H3,(H,38,44)(H,39,40)(H,35,36,37)
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n/an/a 1.11E+3n/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 Lyn


(Homo sapiens (Human))
BDBM50311908
PNG
(4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
Show InChI InChI=1S/C34H39N9O/c1-24-8-6-9-27(20-24)38-33(44)26-13-12-25(2)29(21-26)40-34-39-28-10-4-5-11-30(28)43(34)32-22-31(36-23-37-32)35-14-7-15-42-18-16-41(3)17-19-42/h4-6,8-13,20-23H,7,14-19H2,1-3H3,(H,38,44)(H,39,40)(H,35,36,37)
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n/an/a 1.23E+3n/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))
BDBM50311908
PNG
(4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
Show InChI InChI=1S/C34H39N9O/c1-24-8-6-9-27(20-24)38-33(44)26-13-12-25(2)29(21-26)40-34-39-28-10-4-5-11-30(28)43(34)32-22-31(36-23-37-32)35-14-7-15-42-18-16-41(3)17-19-42/h4-6,8-13,20-23H,7,14-19H2,1-3H3,(H,38,44)(H,39,40)(H,35,36,37)
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n/an/a 1.41E+3n/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311908
PNG
(4-methyl-3-(1-(6-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1
Show InChI InChI=1S/C34H39N9O/c1-24-8-6-9-27(20-24)38-33(44)26-13-12-25(2)29(21-26)40-34-39-28-10-4-5-11-30(28)43(34)32-22-31(36-23-37-32)35-14-7-15-42-18-16-41(3)17-19-42/h4-6,8-13,20-23H,7,14-19H2,1-3H3,(H,38,44)(H,39,40)(H,35,36,37)
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n/an/a 19n/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