BDBM50525472 CHEMBL4459312

SMILES: Cc1c(Cc2ccccc2)c(=O)oc2cc(OS(N)(=O)=O)ccc12

InChI Key: InChIKey=YKPBTQFQEANZCI-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 = 50525472   

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))	BDBM50525472 (CHEMBL4459312) Show SMILES Cc1c(Cc2ccccc2)c(=O)oc2cc(OS(N)(=O)=O)ccc12 Show InChI InChI=1S/C17H15NO5S/c1-11-14-8-7-13(23-24(18,20)21)10-16(14)22-17(19)15(11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	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
Steryl-sulfatase (Homo sapiens (Human))	BDBM50525472 (CHEMBL4459312) Show SMILES Cc1c(Cc2ccccc2)c(=O)oc2cc(OS(N)(=O)=O)ccc12 Show InChI InChI=1S/C17H15NO5S/c1-11-14-8-7-13(23-24(18,20)21)10-16(14)22-17(19)15(11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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