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BDBM50311909 3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide::CHEMBL1076198

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

InChI Key: InChIKey=RCFMYOVNMVCRHQ-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 = 50311909   
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))
BDBM50311909
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-22(30(44)39-24-10-8-9-23(18-24)32(33,34)35)17-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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n/an/a 38n/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))
BDBM50311909
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-22(30(44)39-24-10-8-9-23(18-24)32(33,34)35)17-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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n/an/a 485n/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
Insulin receptor


(Homo sapiens (Human))
BDBM50311909
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-22(30(44)39-24-10-8-9-23(18-24)32(33,34)35)17-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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n/an/a 1.22E+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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50311909
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-22(30(44)39-24-10-8-9-23(18-24)32(33,34)35)17-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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n/an/a 249n/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))
BDBM50311909
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-22(30(44)39-24-10-8-9-23(18-24)32(33,34)35)17-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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n/an/a 15n/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))
BDBM50311909
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-22(30(44)39-24-10-8-9-23(18-24)32(33,34)35)17-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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n/an/a 134n/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))
BDBM50311909
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-22(30(44)39-24-10-8-9-23(18-24)32(33,34)35)17-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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n/an/a 556n/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))
BDBM50311909
PNG
(3-(1-(6-(4-(dimethylamino)butylamino)pyrimidin-4-y...)
Show SMILES CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C32H33F3N8O/c1-21-13-14-22(30(44)39-24-10-8-9-23(18-24)32(33,34)35)17-26(21)41-31-40-25-11-4-5-12-27(25)43(31)29-19-28(37-20-38-29)36-15-6-7-16-42(2)3/h4-5,8-14,17-20H,6-7,15-16H2,1-3H3,(H,39,44)(H,40,41)(H,36,37,38)
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n/an/a 56n/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