BDBM50036698 (E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide::3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide::CHEMBL326100

SMILES: COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O

InChI Key: InChIKey=SOENYCXOSGATJG-MKMNVTDBSA-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 = 50036698   

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))	BDBM50036698 ((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	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 polyGAT phosphorylation				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))	BDBM50036698 ((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	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 polyGAT phosphorylation				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))	BDBM50036698 ((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036698 ((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036698 ((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036698 ((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+	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	251	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