BindingDB logo
myBDB logout

BDBM50121069 CHEMBL3622016

SMILES: NS(=O)(=O)Oc1ccc2c3CCCCCCCCCCCCCc3c(=O)oc2c1

InChI Key: InChIKey=UFBFCFVEOWFYAP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50121069   
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))
BDBM50121069
PNG
(CHEMBL3622016)
Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCCCCCCCCCc3c(=O)oc2c1
Show InChI InChI=1S/C22H31NO5S/c23-29(25,26)28-17-14-15-19-18-12-10-8-6-4-2-1-3-5-7-9-11-13-20(18)22(24)27-21(19)16-17/h14-16H,1-13H2,(H2,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of STS activity in human placental microsome


J Med Chem 58: 7634-58 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00386
BindingDB Entry DOI: 10.7270/Q2474CP9
More data for this
Ligand-Target Pair