BDBM50097926 CHEMBL85681::Sulfamic acid 4-butyryl-phenyl ester

SMILES: CCCC(=O)c1ccc(OS(N)(=O)=O)cc1

InChI Key: InChIKey=WFOGFFUOUQDJDE-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 = 50097926   

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))	BDBM50097926 (CHEMBL85681 | Sulfamic acid 4-butyryl-phenyl ester) Show SMILES CCCC(=O)c1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C10H13NO4S/c1-2-3-10(12)8-4-6-9(7-5-8)15-16(11,13)14/h4-7H,2-3H2,1H3,(H2,11,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of placental microsomal estrone sulfatase (unknown origin) using [3H]-estrone sulphate as substrate incubated for 20 mins by scintillation...				Eur J Med Chem 114: 170-90 (2016) BindingDB Entry DOI: 10.7270/Q26Q2048
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50097926 (CHEMBL85681 | Sulfamic acid 4-butyryl-phenyl ester) Show SMILES CCCC(=O)c1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C10H13NO4S/c1-2-3-10(12)8-4-6-9(7-5-8)15-16(11,13)14/h4-7H,2-3H2,1H3,(H2,11,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description Inhibition of Estrone sulfatase				Bioorg Med Chem Lett 11: 841-4 (2001) BindingDB Entry DOI: 10.7270/Q2JW8FFS
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50097926 (CHEMBL85681 | Sulfamic acid 4-butyryl-phenyl ester) Show SMILES CCCC(=O)c1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C10H13NO4S/c1-2-3-10(12)8-4-6-9(7-5-8)15-16(11,13)14/h4-7H,2-3H2,1H3,(H2,11,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description Inhibition of estrone sulfatase (ES)				Bioorg Med Chem Lett 11: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2CF9QMP
					More data for this Ligand-Target Pair