BDBM50051828 2-(4-hydroxyphenyl)-3-methyl-1-(2,3,4,5,6-pentafluorobenzyl)-4-trifluoromethyl-1H-6-indolol, disulphate derivative(sulfate derivative of 2-phenylindole)::{3-methyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-2-[4-(sulfonatooxy)phenyl]-4-(trifluoromethyl)-1H-indol-6-yl} sulfate
SMILES: Cc1c(-c2ccc(OS([O-])(=O)=O)cc2)n(Cc2c(F)c(F)c(F)c(F)c2F)c2cc(OS([O-])(=O)=O)cc(c12)C(F)(F)F
InChI Key: InChIKey=HJYJIOSCEICCNV-UHFFFAOYSA-L
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Steryl-sulfatase (Homo sapiens (Human)) | BDBM50051828 (2-(4-hydroxyphenyl)-3-methyl-1-(2,3,4,5,6-pentaflu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibitory activity against Estrone sulfatase (E1-STS) | J Med Chem 39: 1349-51 (1996) Article DOI: 10.1021/jm950931z BindingDB Entry DOI: 10.7270/Q218375Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alcohol sulfotransferase (Rattus norvegicus) | BDBM50051828 (2-(4-hydroxyphenyl)-3-methyl-1-(2,3,4,5,6-pentaflu...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibitory activity against dehydroepiandrosterone sulfatase (DHA-STS) | J Med Chem 39: 1349-51 (1996) Article DOI: 10.1021/jm950931z BindingDB Entry DOI: 10.7270/Q218375Z | |||||||||||
More data for this Ligand-Target Pair |