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BDBM195860 US9670213, Compound 005 8-(3-aminophenyl)-2-(4-methoxyphenyl)-7(8H)-pteridin-one

SMILES: COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1

InChI Key: InChIKey=QKANEQHLFOWQRR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 195860   
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 (T790M)


(Homo sapiens (Human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



East China University of Science and Technology

US Patent


Assay Description
In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...


US Patent US9670213 (2017)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q23R0R1P
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



East China University of Science and Technology

US Patent


Assay Description
In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...


US Patent US9670213 (2017)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q23R0R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 30n/an/an/an/an/a25



East China University of Science and Technology

US Patent


Assay Description
In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...


US Patent US9670213 (2017)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q23R0R1P
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



East China University of Science and Technology

US Patent


Assay Description
In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...


US Patent US9670213 (2017)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q23R0R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



East China University of Science and Technology

US Patent


Assay Description
In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...


US Patent US9670213 (2017)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q23R0R1P
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))
BDBM195860
PNG
(US9670213, Compound 005 8-(3-aminophenyl)-2-(4-met...)
Show SMILES COc1ccc(Nc2ncc3ncc(=O)n(-c4cccc(N)c4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c1-27-15-7-5-13(6-8-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-4-2-3-12(20)9-14/h2-11H,20H2,1H3,(H,22,23,24)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8.72E+4n/an/an/an/an/a25



East China University of Science and Technology

US Patent


Assay Description
In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z′-Lyte Kinase Assay Kit were purchased...


US Patent US9670213 (2017)


Article DOI: 10.1021/jm970522y
BindingDB Entry DOI: 10.7270/Q23R0R1P
More data for this
Ligand-Target Pair