BDBM50161939 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4-fluoro-benzyloxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide::CHEMBL180516

SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(F)cc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=CQJUFAUBDFYNPH-AATRIKPKSA-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 = 50161939   

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))	BDBM50161939 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(F)cc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)6-5-13-38(2)3)31(21(17-34)18-35-26)36-23-11-12-28(25(32)14-23)41-19-20-7-9-22(33)10-8-20/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161939 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(F)cc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)6-5-13-38(2)3)31(21(17-34)18-35-26)36-23-11-12-28(25(32)14-23)41-19-20-7-9-22(33)10-8-20/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b6-5+	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	78	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation				J Med Chem 48: 1107-31 (2005) Article DOI: 10.1021/jm040159c BindingDB Entry DOI: 10.7270/Q2BP03KG
					More data for this Ligand-Target Pair