BDBM50036697 (E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide::3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide::CHEMBL331026

SMILES: COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O

InChI Key: InChIKey=KDPPKUHLJVHJSQ-WUXMJOGZSA-N

Data: 6 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 6 hits for monomerid = 50036697   

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))	BDBM50036697 ((E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-h...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O Show InChI InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibitiory concentration against EGF receptor by autophosphorylation				J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036697 ((E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-h...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O Show InChI InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibitiory concentration against EGF receptor by autophosphorylation				J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2) (Homo sapiens (Human))	BDBM50036697 ((E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-h...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O Show InChI InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation				J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036697 ((E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-h...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O Show InChI InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+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))	BDBM50036697 ((E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-h...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O Show InChI InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.17E+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))	BDBM50036697 ((E)-3-[3-(1H-Benzoimidazol-2-ylsulfanylmethyl)-4-h...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O Show InChI InChI=1S/C19H16N4O3S/c1-26-16-8-11(6-12(9-20)18(21)25)7-13(17(16)24)10-27-19-22-14-4-2-3-5-15(14)23-19/h2-8,24H,10H2,1H3,(H2,21,25)(H,22,23)/b12-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation				J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9
					More data for this Ligand-Target Pair