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2 similar compounds to monomer 50032626

Compile data set for download or QSAR
Wt: 394.4
BDBM50032632
Wt: 392.4
BDBM50032627

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50032632,50032627   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50032627
PNG
(CHEMBL3354189)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
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17n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50032627
PNG
(CHEMBL3354189)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
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20n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screening


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50032632
PNG
(CHEMBL3354195)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(=O)ccc3cn2)n1
Show InChI InChI=1S/C21H26N6O2/c1-14(2)27-17-12-19(23-13-15(17)4-5-20(27)28)24-18-6-9-22-21(25-18)26-10-7-16(29-3)8-11-26/h4-6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,22,23,24,25)
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82n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50032632
PNG
(CHEMBL3354195)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(=O)ccc3cn2)n1
Show InChI InChI=1S/C21H26N6O2/c1-14(2)27-17-12-19(23-13-15(17)4-5-20(27)28)24-18-6-9-22-21(25-18)26-10-7-16(29-3)8-11-26/h4-6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,22,23,24,25)
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102n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screening


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50032627
PNG
(CHEMBL3354189)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
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553n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical screening


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50032632
PNG
(CHEMBL3354195)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(C(C)C)c(=O)ccc3cn2)n1
Show InChI InChI=1S/C21H26N6O2/c1-14(2)27-17-12-19(23-13-15(17)4-5-20(27)28)24-18-6-9-22-21(25-18)26-10-7-16(29-3)8-11-26/h4-6,9,12-14,16H,7-8,10-11H2,1-3H3,(H,22,23,24,25)
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1.50E+3n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical screening


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50032627
PNG
(CHEMBL3354189)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 93n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
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))
BDBM50032627
PNG
(CHEMBL3354189)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 2.27E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50032627
PNG
(CHEMBL3354189)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 4.03E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50032627
PNG
(CHEMBL3354189)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(ccc3cn2)C2CCCC2)n1
Show InChI InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
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n/an/a 225n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin)


J Med Chem 57: 10176-91 (2014)


Article DOI: 10.1021/jm501578n
BindingDB Entry DOI: 10.7270/Q2XK8H5B
More data for this
Ligand-Target Pair