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BDBM50311924 CHEMBL1076433::N-(3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-chloro-4-((4-ethylpiperazin-1-yl)methyl)benzamide

SMILES: CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1

InChI Key: InChIKey=KXTIIOOGQPWWGE-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 = 50311924   
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))
BDBM50311924
PNG
(CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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n/an/a 63n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311924
PNG
(CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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n/an/a 47n/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))
BDBM50311924
PNG
(CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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n/an/a 4n/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))
BDBM50311924
PNG
(CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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n/an/a 9n/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50311924
PNG
(CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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n/an/a 5n/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))
BDBM50311924
PNG
(CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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n/an/a 10n/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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50311924
PNG
(CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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n/an/a 30n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311924
PNG
(CHEMBL1076433 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1
Show InChI InChI=1S/C32H34ClN9O/c1-3-40-12-14-41(15-13-40)19-23-10-9-22(16-25(23)33)31(43)37-24-11-8-21(2)27(17-24)39-32-38-26-6-4-5-7-28(26)42(32)30-18-29(34)35-20-36-30/h4-11,16-18,20H,3,12-15,19H2,1-2H3,(H,37,43)(H,38,39)(H2,34,35,36)
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n/an/a 32n/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