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BDBM50311915 4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propylamino)-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide::CHEMBL1076203

SMILES: CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

InChI Key: InChIKey=BCNXUFFSRWFFQA-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 = 50311915   
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
Insulin receptor


(Homo sapiens (Human))
BDBM50311915
PNG
(4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
Show InChI InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)
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n/an/a 1.37E+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 Lck


(Homo sapiens (Human))
BDBM50311915
PNG
(4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
Show InChI InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)
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n/an/a 12n/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
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50311915
PNG
(4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
Show InChI InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)
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n/an/a 54n/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))
BDBM50311915
PNG
(4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
Show InChI InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)
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n/an/a 133n/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))
BDBM50311915
PNG
(4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
Show InChI InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)
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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 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))
BDBM50311915
PNG
(4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
Show InChI InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)
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n/an/a 117n/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))
BDBM50311915
PNG
(4-methyl-3-(1-(4-(3-(4-methylpiperazin-1-yl)propyl...)
Show SMILES CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1
Show InChI InChI=1S/C33H35F3N10O/c1-22-11-12-23(29(47)40-25-8-5-7-24(20-25)33(34,35)36)19-27(22)42-32-41-26-9-3-4-10-28(26)46(32)31-39-21-38-30(43-31)37-13-6-14-45-17-15-44(2)16-18-45/h3-5,7-12,19-21H,6,13-18H2,1-2H3,(H,40,47)(H,41,42)(H,37,38,39,43)
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n/an/a 20n/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