BDBM44463 2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester::2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester::MLS000532688::SMR000140126::cid_1375610::ethyl 2-(acetylamino)-6-formyl-7-(phenylthio)-4,5-dihydro-1-benzothiophene-3-carboxylate::ethyl 2-acetamido-6-formyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate::ethyl 2-acetamido-6-methanoyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate
SMILES: CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2Sc1ccccc1
InChI Key: InChIKey=VMNXPUCTWIHZCR-UHFFFAOYSA-N
Data: 5 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 |
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Ephrin type-A receptor 4 (Mus musculus) | BDBM44463 (2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydro-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2P55KW4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ephrin type-A receptor 4 (Mus musculus) | BDBM44463 (2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydro-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JD4V5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Perilipin-5 (Homo sapiens (Human)) | BDBM44463 (2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydro-1-...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Perilipin-1 (Homo sapiens (Human)) | BDBM44463 (2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydro-1-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human)) | BDBM44463 (2-acetamido-6-formyl-7-(phenylthio)-4,5-dihydro-1-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2736PH3 | ||||||||||||
More data for this Ligand-Target Pair |