BindingDB logo
myBDB logout

BDBM50311932 CHEMBL1076470::N-(3-(1-(6-(4-(diethylamino)butylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-(trifluoromethyl)benzamide

SMILES: CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

InChI Key: InChIKey=FITNUKNIUJHPPH-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 = 50311932   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311932
PNG
(CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...)
Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 438n/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))
BDBM50311932
PNG
(CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...)
Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Insulin receptor


(Homo sapiens (Human))
BDBM50311932
PNG
(CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...)
Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.01E+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
SRC


(Homo sapiens (Human))
BDBM50311932
PNG
(CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...)
Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 430n/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))
BDBM50311932
PNG
(CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...)
Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 41n/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))
BDBM50311932
PNG
(CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...)
Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 217n/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))
BDBM50311932
PNG
(CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...)
Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 885n/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))
BDBM50311932
PNG
(CHEMBL1076470 | N-(3-(1-(6-(4-(diethylamino)butyla...)
Show SMILES CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12
Show InChI InChI=1S/C34H37F3N8O/c1-4-44(5-2)18-9-8-17-38-30-21-31(40-22-39-30)45-29-14-7-6-13-27(29)42-33(45)43-28-20-26(16-15-23(28)3)41-32(46)24-11-10-12-25(19-24)34(35,36)37/h6-7,10-16,19-22H,4-5,8-9,17-18H2,1-3H3,(H,41,46)(H,42,43)(H,38,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 97n/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