BDBM50087073 CHEMBL31419::N-[4-(3-Bromo-phenylamino)-7-(3-morpholin-4-yl-propoxy)-quinazolin-6-yl]-acrylamide

SMILES: Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1

InChI Key: InChIKey=RSAVYUKMYLHWGE-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 = 50087073   

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))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,29,31)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.40	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))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.30	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))	BDBM50087073 (CHEMBL31419 | N-[4-(3-Bromo-phenylamino)-7-(3-morp...) Show SMILES Brc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)c1 Show InChI InChI=1S/C24H26BrN5O3/c1-2-23(31)29-21-14-19-20(15-22(21)33-10-4-7-30-8-11-32-12-9-30)26-16-27-24(19)28-18-6-3-5-17(25)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.60	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