BDBM50409734 CHEMBL1161234

SMILES: COc1cc(\C=C(/C#N)C(N)=O)cc(SCCCC(O)=O)c1O

InChI Key: InChIKey=XWBXRICFTFJDSS-BJMVGYQFSA-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 = 50409734   

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))	BDBM50409734 (CHEMBL1161234) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(SCCCC(O)=O)c1O Show InChI InChI=1S/C15H16N2O5S/c1-22-11-6-9(5-10(8-16)15(17)21)7-12(14(11)20)23-4-2-3-13(18)19/h5-7,20H,2-4H2,1H3,(H2,17,21)(H,18,19)/b10-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79E+4	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50409734 (CHEMBL1161234) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(SCCCC(O)=O)c1O Show InChI InChI=1S/C15H16N2O5S/c1-22-11-6-9(5-10(8-16)15(17)21)7-12(14(11)20)23-4-2-3-13(18)19/h5-7,20H,2-4H2,1H3,(H2,17,21)(H,18,19)/b10-5+	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	1.58E+4	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