BDBM50405869 CHEMBL420961

SMILES: NS(=O)(=O)c1nc2ccc(OC(=O)\C=C\c3ccccc3)cc2s1

InChI Key: InChIKey=YOHTWEQBOHRRPZ-RMKNXTFCSA-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 = 50405869   

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))	BDBM50405869 (CHEMBL420961) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)\C=C\c3ccccc3)cc2s1 Show InChI InChI=1S/C16H12N2O4S2/c17-24(20,21)16-18-13-8-7-12(10-14(13)23-16)22-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H2,17,20,21)/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Carbonic anhydrase II				J Med Chem 32: 2486-92 (1989) BindingDB Entry DOI: 10.7270/Q27P90KQ
					More data for this Ligand-Target Pair