BDBM50182690 CHEMBL202411::N-[4-[(3-Chloro-4-fluorophenyl)amino]-6-quinazolinyl]-4-hydroxy-2-butynamide

SMILES: OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

InChI Key: InChIKey=TVQHGTHLBVLBIA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50182690   

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))	BDBM50182690 (CHEMBL202411 | N-[4-[(3-Chloro-4-fluorophenyl)amin...) Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C18H12ClFN4O2/c19-14-9-12(3-5-15(14)20)24-18-13-8-11(23-17(26)2-1-7-25)4-6-16(13)21-10-22-18/h3-6,8-10,25H,7H2,(H,23,26)(H,21,22,24)	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB2 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182690 (CHEMBL202411 | N-[4-[(3-Chloro-4-fluorophenyl)amin...) Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C18H12ClFN4O2/c19-14-9-12(3-5-15(14)20)24-18-13-8-11(23-17(26)2-1-7-25)4-6-16(13)21-10-22-18/h3-6,8-10,25H,7H2,(H,23,26)(H,21,22,24)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of HER stimulated human erbB autophosphorylation in MDA-MB-453 cells				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human))	BDBM50182690 (CHEMBL202411 | N-[4-[(3-Chloro-4-fluorophenyl)amin...) Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C18H12ClFN4O2/c19-14-9-12(3-5-15(14)20)24-18-13-8-11(23-17(26)2-1-7-25)4-6-16(13)21-10-22-18/h3-6,8-10,25H,7H2,(H,23,26)(H,21,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182690 (CHEMBL202411 | N-[4-[(3-Chloro-4-fluorophenyl)amin...) Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C18H12ClFN4O2/c19-14-9-12(3-5-15(14)20)24-18-13-8-11(23-17(26)2-1-7-25)4-6-16(13)21-10-22-18/h3-6,8-10,25H,7H2,(H,23,26)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of erbB1 fusion protein expressed in baculovirus by ELISA				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182690 (CHEMBL202411 | N-[4-[(3-Chloro-4-fluorophenyl)amin...) Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C18H12ClFN4O2/c19-14-9-12(3-5-15(14)20)24-18-13-8-11(23-17(26)2-1-7-25)4-6-16(13)21-10-22-18/h3-6,8-10,25H,7H2,(H,23,26)(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of EGF stimulated human erbB1 autophosphorylation in NIH3T3 cells				J Med Chem 49: 1475-85 (2006) Article DOI: 10.1021/jm050936o BindingDB Entry DOI: 10.7270/Q2ZS2X96
					More data for this Ligand-Target Pair