BDBM50122581 (E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide::4-Dimethylamino-but-2-enoic acid [4-(3-bromo-phenylamino)-3-cyano-7-ethoxy-quinolin-6-yl]-amide::CHEMBL114728

SMILES: CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=VTUZXOFBDITYJD-RMKNXTFCSA-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 = 50122581   

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))	BDBM50122581 ((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H24BrN5O2/c1-4-32-22-13-20-19(12-21(22)29-23(31)9-6-10-30(2)3)24(16(14-26)15-27-20)28-18-8-5-7-17(25)11-18/h5-9,11-13,15H,4,10H2,1-3H3,(H,27,28)(H,29,31)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by ChEMBL					Assay Description Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)				Bioorg Med Chem Lett 14: 3397-400 (2004) Article DOI: 10.1016/j.bmcl.2004.04.080 BindingDB Entry DOI: 10.7270/Q21Z4505
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50122581 ((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H24BrN5O2/c1-4-32-22-13-20-19(12-21(22)29-23(31)9-6-10-30(2)3)24(16(14-26)15-27-20)28-18-8-5-7-17(25)11-18/h5-9,11-13,15H,4,10H2,1-3H3,(H,27,28)(H,29,31)/b9-6+	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	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2				J Med Chem 46: 49-63 (2002) Article DOI: 10.1021/jm020241c BindingDB Entry DOI: 10.7270/Q2PV6M3H
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122581 ((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H24BrN5O2/c1-4-32-22-13-20-19(12-21(22)29-23(31)9-6-10-30(2)3)24(16(14-26)15-27-20)28-18-8-5-7-17(25)11-18/h5-9,11-13,15H,4,10H2,1-3H3,(H,27,28)(H,29,31)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-004-0105-8 BindingDB Entry DOI: 10.7270/Q2NZ8BJH
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122581 ((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H24BrN5O2/c1-4-32-22-13-20-19(12-21(22)29-23(31)9-6-10-30(2)3)24(16(14-26)15-27-20)28-18-8-5-7-17(25)11-18/h5-9,11-13,15H,4,10H2,1-3H3,(H,27,28)(H,29,31)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA				Eur J Med Chem 43: 781-91 (2008) Article DOI: 10.1016/j.ejmech.2007.06.006 BindingDB Entry DOI: 10.7270/Q2DJ5GXN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122581 ((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C24H24BrN5O2/c1-4-32-22-13-20-19(12-21(22)29-23(31)9-6-10-30(2)3)24(16(14-26)15-27-20)28-18-8-5-7-17(25)11-18/h5-9,11-13,15H,4,10H2,1-3H3,(H,27,28)(H,29,31)/b9-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor				J Med Chem 46: 49-63 (2002) Article DOI: 10.1021/jm020241c BindingDB Entry DOI: 10.7270/Q2PV6M3H
					More data for this Ligand-Target Pair