BDBM4595 4-anilinoquinazoline deriv. 17::6-Substituted 4-Anilinoquinazoline 9::N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-methylprop-2-enamide

SMILES: CC(=C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

InChI Key: InChIKey=YBGIIBLAQDXGRC-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 4595   

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))	BDBM4595 (4-anilinoquinazoline deriv. 17 | 6-Substituted 4-A...) Show SMILES CC(=C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H15BrN4O/c1-11(2)18(24)23-14-6-7-16-15(9-14)17(21-10-20-16)22-13-5-3-4-12(19)8-13/h3-10H,1H2,2H3,(H,23,24)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research					Assay Description The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...				J Med Chem 44: 2719-34 (2001) Article DOI: 10.1021/jm0005555 BindingDB Entry DOI: 10.7270/Q2PN93TS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4595 (4-anilinoquinazoline deriv. 17 | 6-Substituted 4-A...) Show SMILES CC(=C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H15BrN4O/c1-11(2)18(24)23-14-6-7-16-15(9-14)17(21-10-20-16)22-13-5-3-4-12(19)8-13/h3-10H,1H2,2H3,(H,23,24)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activ...				J Med Chem 44: 429-40 (2001) Article DOI: 10.1021/jm000372i BindingDB Entry DOI: 10.7270/Q2HX19WB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4595 (4-anilinoquinazoline deriv. 17 | 6-Substituted 4-A...) Show SMILES CC(=C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C18H15BrN4O/c1-11(2)18(24)23-14-6-7-16-15(9-14)17(21-10-20-16)22-13-5-3-4-12(19)8-13/h3-10H,1H2,2H3,(H,23,24)(H,20,21,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research					Assay Description The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...				J Med Chem 44: 2719-34 (2001) Article DOI: 10.1021/jm0005555 BindingDB Entry DOI: 10.7270/Q2PN93TS
					More data for this Ligand-Target Pair