BDBM50369742 CHEMBL1627627

SMILES: CCCCC(CC)CCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

InChI Key: InChIKey=NFGYEXOOFKJDKY-GLJWEUJKSA-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 = 50369742   

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))	BDBM50369742 (CHEMBL1627627) Show SMILES CCCCC(CC)CCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C Show InChI InChI=1S/C28H44O2/c1-4-6-8-20(5-2)9-7-16-28(30)18-15-26-25-12-10-21-19-22(29)11-13-23(21)24(25)14-17-27(26,28)3/h11,13,19-20,24-26,29-30H,4-10,12,14-18H2,1-3H3/t20?,24-,25-,26+,27+,28+/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Laval University Medical Center (CHUL) Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase activity of JEG-3 cells				J Med Chem 43: 4465-78 (2000) BindingDB Entry DOI: 10.7270/Q2MC90QT
					More data for this Ligand-Target Pair