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1 similar compounds to monomer 50159349

Compile data set for download or QSAR
Wt: 469.5
BDBM50159347

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50159347   
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))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R/T790M double mutant autophosphorylation in human NCI-H1975 cells after 2 hrs by sandwich ELISA


J Med Chem 59: 2005-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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n/an/a 3.22E+3n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)


Article DOI: 10.1016/j.bmcl.2004.04.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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US Patent
n/an/a 0.579n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)


Article DOI: 10.1016/j.bmcl.2004.04.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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US Patent
n/an/a 0.0366n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)


Article DOI: 10.1016/j.bmcl.2004.04.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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US Patent
n/an/a 570n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)


Article DOI: 10.1016/j.bmcl.2004.04.033
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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n/an/a 0.790n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated wild type EGFR autophosphorylation expressed in human A549 cells by sandwich ELISA


J Med Chem 59: 2005-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


J Med Chem 59: 2005-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01633
BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair