BDBM50545253 CHEMBL4632735

SMILES: [H][C@@]12CC[C@@](O)(CNS(=O)(=O)c3cccc4c(cccc34)N(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key: InChIKey=RTHQSDYTDOOGHE-SMFNEFCRSA-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 = 50545253   

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))	BDBM50545253 (CHEMBL4632735) Show SMILES [H][C@@]12CC[C@@](O)(CNS(=O)(=O)c3cccc4c(cccc34)N(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C31H38N2O4S/c1-30-16-14-23-22-13-11-21(34)18-20(22)10-12-24(23)27(30)15-17-31(30,35)19-32-38(36,37)29-9-5-6-25-26(29)7-4-8-28(25)33(2)3/h4-9,11,13,18,23-24,27,32,34-35H,10,12,14-17,19H2,1-3H3/t23-,24-,27+,30+,31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
CHU de Qu£bec - Research Center Curated by ChEMBL					Assay Description Reversible inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by scintillation counti...				Bioorg Med Chem 28: (2020)
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