BDBM50405838 CHEMBL442751

SMILES: CCCCCC(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O

InChI Key: InChIKey=XFPLVUDHBNYLTL-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 = 50405838   

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))	BDBM50405838 (CHEMBL442751) Show SMILES CCCCCC(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C13H16N2O4S2/c1-2-3-4-5-12(16)19-9-6-7-10-11(8-9)20-13(15-10)21(14,17)18/h6-8H,2-5H2,1H3,(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratory Curated by ChEMBL					Assay Description In vitro inhibition of human Carbonic Anhydrase II				J Med Chem 32: 2486-92 (1989) BindingDB Entry DOI: 10.7270/Q27P90KQ
					More data for this Ligand-Target Pair