BDBM50122566 4-Diisopropylamino-but-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-quinolin-6-yl]-amide::CHEMBL113900

SMILES: CC(C)N(CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)C(C)C

InChI Key: InChIKey=OXGRVGJNLBMVAH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50122566   

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))	BDBM50122566 (4-Diisopropylamino-but-2-ynoic acid [4-(3-bromo-ph...) Show SMILES CC(C)N(CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)C(C)C Show InChI InChI=1S/C26H26BrN5O/c1-17(2)32(18(3)4)12-6-9-25(33)30-22-10-11-24-23(14-22)26(19(15-28)16-29-24)31-21-8-5-7-20(27)13-21/h5,7-8,10-11,13-14,16-18H,12H2,1-4H3,(H,29,31)(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33P]-ATP after 20 to 30 mins by radiometric assay				Eur J Med Chem 102: 115-31 (2015) BindingDB Entry DOI: 10.7270/Q2JQ12TS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50122566 (4-Diisopropylamino-but-2-ynoic acid [4-(3-bromo-ph...) Show SMILES CC(C)N(CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)C(C)C Show InChI InChI=1S/C26H26BrN5O/c1-17(2)32(18(3)4)12-6-9-25(33)30-22-10-11-24-23(14-22)26(19(15-28)16-29-24)31-21-8-5-7-20(27)13-21/h5,7-8,10-11,13-14,16-18H,12H2,1-4H3,(H,29,31)(H,30,33)	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	250	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50122566 (4-Diisopropylamino-but-2-ynoic acid [4-(3-bromo-ph...) Show SMILES CC(C)N(CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)C(C)C Show InChI InChI=1S/C26H26BrN5O/c1-17(2)32(18(3)4)12-6-9-25(33)30-22-10-11-24-23(14-22)26(19(15-28)16-29-24)31-21-8-5-7-20(27)13-21/h5,7-8,10-11,13-14,16-18H,12H2,1-4H3,(H,29,31)(H,30,33)	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	320	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))	BDBM50122566 (4-Diisopropylamino-but-2-ynoic acid [4-(3-bromo-ph...) Show SMILES CC(C)N(CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)C(C)C Show InChI InChI=1S/C26H26BrN5O/c1-17(2)32(18(3)4)12-6-9-25(33)30-22-10-11-24-23(14-22)26(19(15-28)16-29-24)31-21-8-5-7-20(27)13-21/h5,7-8,10-11,13-14,16-18H,12H2,1-4H3,(H,29,31)(H,30,33)	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	250	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