BDBM50036702 (E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide::3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide::CHEMBL115895
SMILES: COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O
InChI Key: InChIKey=LGSDRHSXDZDRLH-VGOFMYFVSA-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)) | BDBM50036702 ((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 2.20E+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)) | BDBM50036702 ((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 3.30E+3 | 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)) | BDBM50036702 ((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 5.60E+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 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)) | BDBM50036702 ((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.31E+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)) | BDBM50036702 ((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 9.00E+3 | 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)) | BDBM50036702 ((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.19E+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 |