BDBM50405872 CHEMBL82557

SMILES: CC(C)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O

InChI Key: InChIKey=KNDWYECFZQFVFG-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 = 50405872   

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))	BDBM50405872 (CHEMBL82557) Show SMILES CC(C)C(=O)Oc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C11H12N2O4S2/c1-6(2)10(14)17-7-3-4-8-9(5-7)18-11(13-8)19(12,15)16/h3-6H,1-2H3,(H2,12,15,16)	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	6.80	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