BDBM50116196 CHEMBL3612302

SMILES: ClP(=S)(Oc1ccc2c3CCCc3c(=O)oc2c1)Oc1ccc2c3CCCc3c(=O)oc2c1

InChI Key: InChIKey=GXGDGFQIMAUXJJ-UHFFFAOYSA-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 = 50116196   

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))	BDBM50116196 (CHEMBL3612302) Show SMILES ClP(=S)(Oc1ccc2c3CCCc3c(=O)oc2c1)Oc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C24H18ClO6PS/c25-32(33,30-13-7-9-17-15-3-1-5-19(15)23(26)28-21(17)11-13)31-14-8-10-18-16-4-2-6-20(16)24(27)29-22(18)12-14/h7-12H,1-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis				Eur J Med Chem 101: 358-66 (2015) BindingDB Entry DOI: 10.7270/Q29C706J
					More data for this Ligand-Target Pair