BDBM50036686 (E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl)-2-cyano-acrylamide::3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl)-2-cyano-acrylamide::CHEMBL432428
SMILES: NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N
InChI Key: InChIKey=JPNQHDIBDBJKGZ-MKMNVTDBSA-N
Data: 6 IC50
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)) | BDBM50036686 ((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 940 | 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)) | BDBM50036686 ((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 640 | 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)) | BDBM50036686 ((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.02E+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)) | BDBM50036686 ((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 646 | 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)) | BDBM50036686 ((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...) | 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 | 1.02E+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)) | BDBM50036686 ((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+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 autophosphorylation | J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9 | |||||||||||
More data for this Ligand-Target Pair |