BDBM50406456 CHEMBL107537

SMILES: NS(=O)(=O)c1ccc(SCCCCO)cc1

InChI Key: InChIKey=WDXVDWRSYOFRBP-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 = 50406456   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50406456 (CHEMBL107537) Show SMILES NS(=O)(=O)c1ccc(SCCCCO)cc1 Show InChI InChI=1S/C10H15NO3S2/c11-16(13,14)10-5-3-9(4-6-10)15-8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II using pH stat assay				J Med Chem 34: 3098-105 (1991) Article DOI: 10.1021/jm00114a020 BindingDB Entry DOI: 10.7270/Q2SJ1MTV
					More data for this Ligand-Target Pair