BDBM50036696 2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl)-benzylidene]-malononitrile::CHEMBL334032

SMILES: [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8]

InChI Key: InChIKey=OHHGMKTWWGWUJB-UHFFFAOYSA-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 = 50036696   

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))	BDBM50036696 (2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8] Show InChI InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2) (Homo sapiens (Human))	BDBM50036696 (2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8] Show InChI InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.74E+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))	BDBM50036696 (2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8] Show InChI InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.50E+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 (Homo sapiens (Human))	BDBM50036696 (2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8] Show InChI InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.29E+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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036696 (2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8] Show InChI InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+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 polyGAT phosphorylation				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))	BDBM50036696 (2-[4-Hydroxy-3-methoxy-5-(toluene-4-sulfonylmethyl...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]S(=O)(=O)c2ccc(-[#6])cc2)c1-[#8] Show InChI InChI=1S/C19H16N2O4S/c1-13-3-5-17(6-4-13)26(23,24)12-16-8-14(7-15(10-20)11-21)9-18(25-2)19(16)22/h3-9,22H,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+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