BDBM50168252 CHEMBL3805117

SMILES: [H][C@@]12CC[C@@](O)(Cc3ccc(cc3)-c3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H]

InChI Key: InChIKey=JEBIQPNFYCDHCY-ZOROSQJXSA-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 = 50168252   

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))	BDBM50168252 (CHEMBL3805117) Show SMILES [H][C@@]12CC[C@@](O)(Cc3ccc(cc3)-c3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C31H35NO4S/c1-30-17-15-27-26-14-12-25(36-37(32,34)35)19-24(26)11-13-28(27)29(30)16-18-31(30,33)20-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-10,12,14,19,27-29,33H,11,13,15-18,20H2,1H3,(H2,32,34,35)/t27-,28-,29+,30+,31-/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