Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50084540'   

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))	BDBM50084540 (2,6-Dimethyl-4-phenyl-1-[(2-sulfamoyl-benzothiazol...) Show SMILES Cc1cc(cc(C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S2/c1-14-10-17(16-6-4-3-5-7-16)11-15(2)26(14)13-21(27)24-18-8-9-19-20(12-18)30-22(25-19)31(23,28)29/h3-12H,13H2,1-2H3,(H2-,23,24,27,28,29)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II (CA2)				J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7
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