BDBM50525469 CHEMBL4517286

SMILES: [H][C@@]12C(=O)N(Cc3cccnc3)C(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H]

InChI Key: InChIKey=ZXTKPEBMVJXIJC-URFJDIBFSA-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 = 50525469   

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))	BDBM50525469 (CHEMBL4517286) Show SMILES [H][C@@]12C(=O)N(Cc3cccnc3)C(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C23H25N3O5S/c1-23-9-8-18-17-7-5-16(31-32(24,29)30)11-15(17)4-6-19(18)20(23)21(27)26(22(23)28)13-14-3-2-10-25-12-14/h2-3,5,7,10-12,18-20H,4,6,8-9,13H2,1H3,(H2,24,29,30)/t18-,19-,20-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase (unknown origin)				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052
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