BDBM50087077 CHEMBL31816::N-[4-(3-Chloro-4-fluoro-phenylamino)-7-methoxy-pyrido[3,2-d]pyrimidin-6-yl]-acrylamide

SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C

InChI Key: InChIKey=DTKYOILJQJQIHX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50087077   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50087077 (CHEMBL31816 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C Show InChI InChI=1S/C17H13ClFN5O2/c1-3-14(25)23-16-13(26-2)7-12-15(24-16)17(21-8-20-12)22-9-4-5-11(19)10(18)6-9/h3-8H,1H2,2H3,(H,20,21,22)(H,23,24,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087077 (CHEMBL31816 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C Show InChI InChI=1S/C17H13ClFN5O2/c1-3-14(25)23-16-13(26-2)7-12-15(24-16)17(21-8-20-12)22-9-4-5-11(19)10(18)6-9/h3-8H,1H2,2H3,(H,20,21,22)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50087077 (CHEMBL31816 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C Show InChI InChI=1S/C17H13ClFN5O2/c1-3-14(25)23-16-13(26-2)7-12-15(24-16)17(21-8-20-12)22-9-4-5-11(19)10(18)6-9/h3-8H,1H2,2H3,(H,20,21,22)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by imm...				J Med Chem 43: 1380-97 (2001) BindingDB Entry DOI: 10.7270/Q2H13179
					More data for this Ligand-Target Pair