BDBM50409740 CHEMBL143805

SMILES: Oc1ccc(CNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1

InChI Key: InChIKey=ANNOGSJJXIDSKS-NTUHNPAUSA-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 = 50409740   

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))	BDBM50409740 (CHEMBL143805) Show SMILES Oc1ccc(CNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1 Show InChI InChI=1S/C17H14N2O4/c18-9-13(7-12-3-6-15(21)16(22)8-12)17(23)19-10-11-1-4-14(20)5-2-11/h1-8,20-22H,10H2,(H,19,23)/b13-7+	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	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50409740 (CHEMBL143805) Show SMILES Oc1ccc(CNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1 Show InChI InChI=1S/C17H14N2O4/c18-9-13(7-12-3-6-15(21)16(22)8-12)17(23)19-10-11-1-4-14(20)5-2-11/h1-8,20-22H,10H2,(H,19,23)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair