BDBM50118551 CHEMBL137392::Sulfamic acid 2-tert-butyl-4-oxo-4H-chromen-6-yl ester

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

InChI Key: InChIKey=PGFMBHKYSULPEO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50118551   

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))	BDBM50118551 (CHEMBL137392 | Sulfamic acid 2-tert-butyl-4-oxo-4H...) Show SMILES CC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12-7-10(15)9-6-8(19-20(14,16)17)4-5-11(9)18-12/h4-7H,1-3H3,(H2,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	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
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118551 (CHEMBL137392 | Sulfamic acid 2-tert-butyl-4-oxo-4H...) Show SMILES CC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12-7-10(15)9-6-8(19-20(14,16)17)4-5-11(9)18-12/h4-7H,1-3H3,(H2,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of human sulfatase using 4-methylumbelliferyl sulfate as substrate after 60 mins				Eur J Med Chem 177: 116-143 (2019) Article DOI: 10.1016/j.ejmech.2019.05.023
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50118551 (CHEMBL137392 | Sulfamic acid 2-tert-butyl-4-oxo-4H...) Show SMILES CC(C)(C)c1cc(=O)c2cc(OS(N)(=O)=O)ccc2o1 Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12-7-10(15)9-6-8(19-20(14,16)17)4-5-11(9)18-12/h4-7H,1-3H3,(H2,14,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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