BDBM44702 2-O-cyclohexyl 5-O-methyl 3,6-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2,5-dicarboxylate::3,6-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2,5-dicarboxylic acid O2-cyclohexyl ester O5-methyl ester::4-keto-3,6-dimethyl-1,5,6,7-tetrahydroindole-2,5-dicarboxylic acid O2-cyclohexyl ester O5-methyl ester::MLS000116516::O2-cyclohexyl O5-methyl 3,6-dimethyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2,5-dicarboxylate::SMR000093486::cid_2997361
SMILES: COC(=O)C1C(C)Cc2[nH]c(C(=O)OC3CCCCC3)c(C)c2C1=O
InChI Key: InChIKey=SOUPFDNQACDAQX-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Oxysterols receptor LXR-beta (Homo sapiens (Human)) | BDBM44702 (2-O-cyclohexyl 5-O-methyl 3,6-dimethyl-4-oxo-1,5,6...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 6.75E+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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2ZP44SP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM44702 (2-O-cyclohexyl 5-O-methyl 3,6-dimethyl-4-oxo-1,5,6...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.74E+3 | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH | |||||||||||
More data for this Ligand-Target Pair |