BDBM50188459 3-(2-chloroethyl)-1-methyl-1-{[4-(3-chlorophenyl)amino]quinazolin-6-yl}urea::CHEMBL208144

SMILES: CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1

InChI Key: InChIKey=ZCKFRMIUXBQEAX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50188459   

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))	BDBM50188459 (3-(2-chloroethyl)-1-methyl-1-{[4-(3-chlorophenyl)a...) Show SMILES CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C18H17Cl2N5O/c1-25(8-7-19)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50188459 (3-(2-chloroethyl)-1-methyl-1-{[4-(3-chlorophenyl)a...) Show SMILES CN(CCCl)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C18H17Cl2N5O/c1-25(8-7-19)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Health Center/ Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of EGFR tyrosine kinase				J Med Chem 49: 3544-52 (2006) Article DOI: 10.1021/jm0600390 BindingDB Entry DOI: 10.7270/Q2F47NSV
					More data for this Ligand-Target Pair