BDBM50168251 CHEMBL3805959

SMILES: [H][C@@]12CC[C@@](O)(Cc3cccc(OC)c3)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H]

InChI Key: InChIKey=QZLNMGWPYYMSQG-PUHDZGQXSA-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 = 50168251   

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))	BDBM50168251 (CHEMBL3805959) Show SMILES [H][C@@]12CC[C@@](O)(Cc3cccc(OC)c3)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C26H33NO5S/c1-25-12-10-22-21-9-7-20(32-33(27,29)30)15-18(21)6-8-23(22)24(25)11-13-26(25,28)16-17-4-3-5-19(14-17)31-2/h3-5,7,9,14-15,22-24,28H,6,8,10-13,16H2,1-2H3,(H2,27,29,30)/t22-,23-,24+,25+,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of estrone sulfatase in human JEG-3 cells using [3H]-estrone sulphate as substrate incubated for 1 hr by liquid scintillation counting met...				Eur J Med Chem 114: 170-90 (2016) BindingDB Entry DOI: 10.7270/Q26Q2048
					More data for this Ligand-Target Pair