BDBM50525473 CHEMBL4520442

SMILES: CCCCCCc1c(C)c2ccc(OS(N)(=O)=O)cc2oc1=O

InChI Key: InChIKey=XSXHVGKWARQCCK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50525473   

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))	BDBM50525473 (CHEMBL4520442) Show SMILES CCCCCCc1c(C)c2ccc(OS(N)(=O)=O)cc2oc1=O Show InChI InChI=1S/C16H21NO5S/c1-3-4-5-6-7-14-11(2)13-9-8-12(22-23(17,19)20)10-15(13)21-16(14)18/h8-10H,3-7H2,1-2H3,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in human MCF7 cells				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50525473 (CHEMBL4520442) Show SMILES CCCCCCc1c(C)c2ccc(OS(N)(=O)=O)cc2oc1=O Show InChI InChI=1S/C16H21NO5S/c1-3-4-5-6-7-14-11(2)13-9-8-12(22-23(17,19)20)10-15(13)21-16(14)18/h8-10H,3-7H2,1-2H3,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase derived form human placental microsomes				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052
					More data for this Ligand-Target Pair