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BDBM50311890 3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methyl-N-m-tolylbenzamide::CHEMBL1076194

SMILES: CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12

InChI Key: InChIKey=BDUYLUFNRITWFA-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 = 50311890   
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))
BDBM50311890
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C32H36N8O/c1-22-10-9-11-25(18-22)36-31(41)24-15-14-23(2)27(19-24)38-32-37-26-12-5-6-13-28(26)40(32)30-20-29(34-21-35-30)33-16-7-8-17-39(3)4/h5-6,9-15,18-21H,7-8,16-17H2,1-4H3,(H,36,41)(H,37,38)(H,33,34,35)
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n/an/a 531n/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))
BDBM50311890
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C32H36N8O/c1-22-10-9-11-25(18-22)36-31(41)24-15-14-23(2)27(19-24)38-32-37-26-12-5-6-13-28(26)40(32)30-20-29(34-21-35-30)33-16-7-8-17-39(3)4/h5-6,9-15,18-21H,7-8,16-17H2,1-4H3,(H,36,41)(H,37,38)(H,33,34,35)
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n/an/a 2.63E+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 Lyn


(Homo sapiens (Human))
BDBM50311890
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C32H36N8O/c1-22-10-9-11-25(18-22)36-31(41)24-15-14-23(2)27(19-24)38-32-37-26-12-5-6-13-28(26)40(32)30-20-29(34-21-35-30)33-16-7-8-17-39(3)4/h5-6,9-15,18-21H,7-8,16-17H2,1-4H3,(H,36,41)(H,37,38)(H,33,34,35)
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n/an/a 1.38E+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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50311890
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C32H36N8O/c1-22-10-9-11-25(18-22)36-31(41)24-15-14-23(2)27(19-24)38-32-37-26-12-5-6-13-28(26)40(32)30-20-29(34-21-35-30)33-16-7-8-17-39(3)4/h5-6,9-15,18-21H,7-8,16-17H2,1-4H3,(H,36,41)(H,37,38)(H,33,34,35)
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n/an/a 1.50E+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 Lck


(Homo sapiens (Human))
BDBM50311890
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C32H36N8O/c1-22-10-9-11-25(18-22)36-31(41)24-15-14-23(2)27(19-24)38-32-37-26-12-5-6-13-28(26)40(32)30-20-29(34-21-35-30)33-16-7-8-17-39(3)4/h5-6,9-15,18-21H,7-8,16-17H2,1-4H3,(H,36,41)(H,37,38)(H,33,34,35)
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n/an/a 22n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311890
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C32H36N8O/c1-22-10-9-11-25(18-22)36-31(41)24-15-14-23(2)27(19-24)38-32-37-26-12-5-6-13-28(26)40(32)30-20-29(34-21-35-30)33-16-7-8-17-39(3)4/h5-6,9-15,18-21H,7-8,16-17H2,1-4H3,(H,36,41)(H,37,38)(H,33,34,35)
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n/an/a 1.27E+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 HCK


(Homo sapiens (Human))
BDBM50311890
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12
Show InChI InChI=1S/C32H36N8O/c1-22-10-9-11-25(18-22)36-31(41)24-15-14-23(2)27(19-24)38-32-37-26-12-5-6-13-28(26)40(32)30-20-29(34-21-35-30)33-16-7-8-17-39(3)4/h5-6,9-15,18-21H,7-8,16-17H2,1-4H3,(H,36,41)(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 (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