BDBM50122578 4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-7-methoxy-quinolin-6-yl]-amide::CHEMBL116853

SMILES: COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C

InChI Key: InChIKey=XVHPHLVYCRDHSU-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 = 50122578   

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))	BDBM50122578 (4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-pheny...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C Show InChI InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122578 (4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-pheny...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C Show InChI InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122578 (4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-pheny...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C Show InChI InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	9.00E+4	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))	BDBM50122578 (4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-pheny...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C Show InChI InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89.1	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50122578 (4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-pheny...) Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C Show InChI InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	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