Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50012233'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50012233 (5-Sulfamoyl-thieno[2,3-b]thiophene-2-carboxylic ac...) Show SMILES NS(=O)(=O)c1cc2cc(sc2s1)C(=O)NCCN1CCSCC1 Show InChI InChI=1S/C13H17N3O3S4/c14-23(18,19)11-8-9-7-10(21-13(9)22-11)12(17)15-1-2-16-3-5-20-6-4-16/h7-8H,1-6H2,(H,15,17)(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against human carbonic anhydrase II				J Med Chem 34: 1805-18 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q25D8SFP
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