BDBM75955 1-(2,3-Dihydro-indol-1-yl)-2-(5,5-dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanyl)-ethanone::1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)sulfanyl]ethanone::1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]ethanone::2-[(5,5-dimethyl-6H-[1,2,4]triazol[3,4-a]isoquinolin-3-yl)thio]-1-indolin-1-yl-ethanone::MLS000072694::SMR000002038::cid_644775
SMILES: CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCc4ccccc34)n12
InChI Key: InChIKey=DQFOPYSEAVPWQL-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Photoreceptor-specific nuclear receptor (Homo sapiens (Human)) | BDBM75955 (1-(2,3-Dihydro-indol-1-yl)-2-(5,5-dimethyl-5,6-dih...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.42E+3 | 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 Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BK19S0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1) (Homo sapiens (Human)) | BDBM75955 (1-(2,3-Dihydro-indol-1-yl)-2-(5,5-dimethyl-5,6-dih...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.95E+3 | 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 Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26T0K34 | |||||||||||
More data for this Ligand-Target Pair |