BDBM195880 US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-7-oxo-7,8-dihydropteridinyl-2-amino)benzamide

SMILES: NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

InChI Key: InChIKey=JWNAINYXINYHML-UHFFFAOYSA-N

Data: 8 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 = 195880   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
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) BindingDB Entry DOI: 10.7270/Q23R0R1P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R) (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.64	n/a	n/a	n/a	n/a	n/a	25
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) BindingDB Entry DOI: 10.7270/Q23R0R1P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.39	n/a	n/a	n/a	n/a	n/a	25
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) BindingDB Entry DOI: 10.7270/Q23R0R1P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay				J Med Chem 56: 7821-37 (2013) Article DOI: 10.1021/jm401045n BindingDB Entry DOI: 10.7270/Q21V5HW9
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	25
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) BindingDB Entry DOI: 10.7270/Q23R0R1P
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay				J Med Chem 56: 7821-37 (2013) Article DOI: 10.1021/jm401045n BindingDB Entry DOI: 10.7270/Q21V5HW9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science & Technology Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay				J Med Chem 56: 7821-37 (2013) Article DOI: 10.1021/jm401045n BindingDB Entry DOI: 10.7270/Q21V5HW9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM195880 (US9670213, Compound 025 4-(8-(3-acrylamidephenyl)-...) Show SMILES NC(=O)c1ccc(Nc2ncc3ncc(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C22H17N7O3/c1-2-18(30)26-15-4-3-5-16(10-15)29-19(31)12-24-17-11-25-22(28-21(17)29)27-14-8-6-13(7-9-14)20(23)32/h2-12H,1H2,(H2,23,32)(H,26,30)(H,25,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	25
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) BindingDB Entry DOI: 10.7270/Q23R0R1P
					More data for this Ligand-Target Pair