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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

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50051828   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50051828
PNG
(2-(4-hydroxyphenyl)-3-methyl-1-(2,3,4,5,6-pentaflu...)
Show 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
Show InChI InChI=1S/C23H13F8NO8S2/c1-9-16-14(23(29,30)31)6-12(40-42(36,37)38)7-15(16)32(8-13-17(24)19(26)21(28)20(27)18(13)25)22(9)10-2-4-11(5-3-10)39-41(33,34)35/h2-7H,8H2,1H3,(H,33,34,35)(H,36,37,38)/p-2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/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
PNG
(2-(4-hydroxyphenyl)-3-methyl-1-(2,3,4,5,6-pentaflu...)
Show 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
Show InChI InChI=1S/C23H13F8NO8S2/c1-9-16-14(23(29,30)31)6-12(40-42(36,37)38)7-15(16)32(8-13-17(24)19(26)21(28)20(27)18(13)25)22(9)10-2-4-11(5-3-10)39-41(33,34)35/h2-7H,8H2,1H3,(H,33,34,35)(H,36,37,38)/p-2
KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/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