Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50135604'   

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))	BDBM50135604 (4-[3-Methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2E)-...) Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(cc1)C(=O)OCCO)S(N)(=O)=O Show InChI InChI=1S/C12H14N4O7S3/c1-16-11(24-12(14-16)25(13,19)20)15-26(21,22)9-4-2-8(3-5-9)10(18)23-7-6-17/h2-5,17H,6-7H2,1H3,(H2,13,19,20)/b15-11+	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
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 13: 2867-73 (2003) BindingDB Entry DOI: 10.7270/Q2BR8SQ8
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