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BDBM50032628 CHEMBL3354190

SMILES: COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1

InChI Key: InChIKey=GUKYWSVRGDINLN-UHFFFAOYSA-N

Data: 4 KI  4 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 = 50032628   
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))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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PubMed
40n/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))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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211n/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))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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PubMed
559n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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n/an/a 2.22E+3n/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))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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n/an/a>1.00E+4n/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))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
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n/an/a>1.00E+4n/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))
BDBM50032628
PNG
(CHEMBL3354190)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3n(cnc3cn2)C(C)C)n1
Show InChI InChI=1S/C19H25N7O/c1-13(2)26-12-22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27-3)6-9-25/h4,7,10-14H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
PDB

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PubMed
n/an/a>1.00E+3n/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