BDBM50380212 CHEMBL2011412

SMILES: CCCc1c(OS(N)(=O)=O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc12

InChI Key: InChIKey=JXLZMUFNHKEMLU-RDBAUFEQSA-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 = 50380212   

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))	BDBM50380212 (CHEMBL2011412) Show SMILES CCCc1c(OS(N)(=O)=O)ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc12 |r| Show InChI InChI=1S/C21H29NO4S/c1-3-4-17-14-5-6-16-15(11-12-21(2)18(16)8-10-20(21)23)13(14)7-9-19(17)26-27(22,24)25/h7,9,15-16,18H,3-6,8,10-12H2,1-2H3,(H2,22,24,25)/t15-,16-,18+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry				Bioorg Med Chem 20: 2506-19 (2012) Article DOI: 10.1016/j.bmc.2012.03.007 BindingDB Entry DOI: 10.7270/Q2XG9S4J
					More data for this Ligand-Target Pair