BDBM77495 4-(m-anisoylamino)-2,3-dihydrothiophene-5-carboxylic acid methyl ester::4-[[(3-methoxyphenyl)-oxomethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester::MLS000087766::SMR000023986::cid_3241864::methyl 3-[(3-methoxybenzoyl)amino]-4,5-dihydrothiophene-2-carboxylate::methyl 4-[(3-methoxybenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate::methyl 4-[(3-methoxyphenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate
SMILES: COC(=O)C1=C(CCS1)NC(=O)c1cccc(OC)c1
InChI Key: InChIKey=GPDZLUNLXHMMLS-UHFFFAOYSA-N
Data: 3 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-7 (Homo sapiens (Human)) | BDBM77495 (4-(m-anisoylamino)-2,3-dihydrothiophene-5-carboxyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >8.53E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
corticotropin releasing factor-binding protein (Homo sapiens (Human)) | BDBM77495 (4-(m-anisoylamino)-2,3-dihydrothiophene-5-carboxyl...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >5.30E+4 | n/a | n/a | n/a | n/a |
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 (2012) BindingDB Entry DOI: 10.7270/Q2VX0F3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM77495 (4-(m-anisoylamino)-2,3-dihydrothiophene-5-carboxyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >8.53E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P | |||||||||||
More data for this Ligand-Target Pair |