BDBM50405849 CHEMBL84169

SMILES: NS(=O)(=O)c1nc2ccc(OC(=O)Cc3ccccc3)cc2s1

InChI Key: InChIKey=MEBIIUBUTCZSJM-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 = 50405849   

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))	BDBM50405849 (CHEMBL84169) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)Cc3ccccc3)cc2s1 Show InChI InChI=1S/C15H12N2O4S2/c16-23(19,20)15-17-12-7-6-11(9-13(12)22-15)21-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,19,20)	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	30	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