BDBM4299 (2E)-3-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylcarbonyl)prop-2-enenitrile::CHEMBL55994::Tyrphostin deriv. 36

SMILES: Oc1ccc(\C=C(/C#N)C(=O)c2cccs2)cc1O

InChI Key: InChIKey=CPXCUSISXFTYFB-UXBLZVDNSA-N

Data: 4 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 4 hits for monomerid = 4299   

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))	BDBM4299 ((2E)-3-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylcarbo...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2cccs2)cc1O Show InChI InChI=1S/C14H9NO3S/c15-8-10(14(18)13-2-1-5-19-13)6-9-3-4-11(16)12(17)7-9/h1-7,16-17H/b10-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 34: 1896-907 (1991) Article DOI: 10.1021/jm00110a022 BindingDB Entry DOI: 10.7270/Q2KW5D7V
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4299 ((2E)-3-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylcarbo...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2cccs2)cc1O Show InChI InChI=1S/C14H9NO3S/c15-8-10(14(18)13-2-1-5-19-13)6-9-3-4-11(16)12(17)7-9/h1-7,16-17H/b10-6+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.47E+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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4299 ((2E)-3-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylcarbo...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2cccs2)cc1O Show InChI InChI=1S/C14H9NO3S/c15-8-10(14(18)13-2-1-5-19-13)6-9-3-4-11(16)12(17)7-9/h1-7,16-17H/b10-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.09E+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))	BDBM4299 ((2E)-3-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylcarbo...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2cccs2)cc1O Show InChI InChI=1S/C14H9NO3S/c15-8-10(14(18)13-2-1-5-19-13)6-9-3-4-11(16)12(17)7-9/h1-7,16-17H/b10-6+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HER2 (unknown origin)				J Med Chem 51: 3367-77 (2008) Article DOI: 10.1021/jm7013875 BindingDB Entry DOI: 10.7270/Q2086532
					More data for this Ligand-Target Pair