BDBM195873 US9670213, Compound 018 N-(3-(2-(4-morpholinophenylamino)-7-oxo-8(7H)-pteridin-yl)phenyl) acrylamide

SMILES: C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O

InChI Key: InChIKey=NXZQKEJXOSVRFZ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 195873   

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))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.94	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))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.83	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))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.02	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
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	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 human N-terminal GST-tagged FLT3 (564 to 993 residues) expressed in baculovirus expression system using peptide FAM-P2 as substrate inc...				J Med Chem 59: 6187-200 (2016) Article DOI: 10.1021/acs.jmedchem.6b00374
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	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	2.90	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	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	7.30	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM195873 (US9670213, Compound 018 N-(3-(2-(4-morpholinopheny...) Show SMILES C=CC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ncc1=O Show InChI InChI=1S/C25H23N7O3/c1-2-22(33)28-18-4-3-5-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-6-8-19(9-7-17)31-10-12-35-13-11-31/h2-9,14-16H,1,10-13H2,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	798	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