BDBM50118570 CHEMBL137707::Sulfamic acid 2-(1,1-dimethyl-nonyl)-4-oxo-4H-chromen-6-yl ester

SMILES: CCCCCCCCC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1

InChI Key: InChIKey=QAODZTQRCAJRMJ-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 = 50118570   

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))	BDBM50118570 (CHEMBL137707 | Sulfamic acid 2-(1,1-dimethyl-nonyl...) Show SMILES CCCCCCCCC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C20H29NO5S/c1-4-5-6-7-8-9-12-20(2,3)19-14-17(22)16-13-15(26-27(21,23)24)10-11-18(16)25-19/h10-11,13-14H,4-9,12H2,1-3H3,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase				J Med Chem 46: 5091-4 (2003) Article DOI: 10.1021/jm030926s BindingDB Entry DOI: 10.7270/Q2RF5VR1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118570 (CHEMBL137707 | Sulfamic acid 2-(1,1-dimethyl-nonyl...) Show SMILES CCCCCCCCC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C20H29NO5S/c1-4-5-6-7-8-9-12-20(2,3)19-14-17(22)16-13-15(26-27(21,23)24)10-11-18(16)25-19/h10-11,13-14H,4-9,12H2,1-3H3,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Research Institute Vienna Curated by ChEMBL					Assay Description Inhibitory activity against purified human steroid sulfatase (STS)				J Med Chem 45: 4310-20 (2002) BindingDB Entry DOI: 10.7270/Q2BZ66SF
					More data for this Ligand-Target Pair