Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50084555'   

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))	BDBM50084555 (2,4,6-Trimethyl-1-(2-sulfamoyl-benzothiazol-6-ylox...) Show SMILES Cc1cc(C)[n+](CC(=O)Oc2ccc3nc(sc3c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C17H18N3O4S2/c1-10-6-11(2)20(12(3)7-10)9-16(21)24-13-4-5-14-15(8-13)25-17(19-14)26(18,22)23/h4-8H,9H2,1-3H3,(H2,18,22,23)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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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