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BDBM13923 2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[1,2-a][1,2,4]triazin-6-yl}carbamate::CHEMBL412367::pyrrolo[2,1-f][1,2,4]triazine analog 9b

SMILES: CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12

InChI Key: InChIKey=VTLGISZPEUFMGV-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 13923   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The kinase activity was determined by using recombinant enzyme incubating with its substrate in the presence of test compound and ATP/[gamma-33P] ATP...


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Met cytoplasmic sequence; Reported as mean (variability <15%)


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against IGF-1R cytoplasmic sequence; Reported as mean (variability <15%)


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 460n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Sal2 (salivary gland carcinoma) cell line expressing active HER2


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against MAPKAP kinase 2 cytoplasmic sequence; Reported as mean (variability <15%)


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against p38 cytoplasmic sequence; Reported as mean (variability <15%)


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM13923
PNG
(2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indaz...)
Show SMILES CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
Show InChI InChI=1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAK cytoplasmic sequence; Reported as mean (variability <15%)


Bioorg Med Chem Lett 15: 4774-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.027
BindingDB Entry DOI: 10.7270/Q2XD1172
More data for this
Ligand-Target Pair