BDBM64759 3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one;oxalic acid::3-[2-furanyl(oxo)methyl]-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-2-furanyl)-2H-pyrrol-5-one;oxalic acid::4-(2-furoyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(5-methyl-2-furyl)-3-pyrrolin-2-one;oxalic acid::4-(Furan-2-carbonyl)-3-hydroxy-1-(6-methyl-benzothiazol-2-yl)-5-(5-methyl-furan-2-yl)-1,5-dihydro-pyrrol-2-one::MLS001221390::SMR000612215::cid_24792442::ethanedioic acid;3-(furan-2-ylcarbonyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methylfuran-2-yl)-4-oxidanyl-2H-pyrrol-5-one
SMILES: Cc1ccc(o1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1
InChI Key: InChIKey=DBQKPIMGHJRMHE-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM64759 (3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-ben...) | 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 | 1.40E+4 | n/a | n/a | 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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V40SP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Homo sapiens huntingtin (HTT), mRNA (Homo sapiens (Human)) | BDBM64759 (3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-ben...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 624 | 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 (2013) BindingDB Entry DOI: 10.7270/Q2N58K09 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM64759 (3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-ben...) | 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 | 3.00E+4 | n/a | n/a | 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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KP80MW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM64759 (3-(furan-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-ben...) | 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 | 2.60E+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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2QC020R | |||||||||||
More data for this Ligand-Target Pair |