Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-carbonic anhydrase 1' and Ligand = 'BDBM33270'   

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
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM33270 (azo-sulfonamide, 1e) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O5S2/c14-24(21,22)13-7-5-12(6-8-13)17-16-11-3-1-10(2-4-11)15-9-23(18,19)20/h1-8,15H,9H2,(H2,14,21,22)(H,18,19,20)/p-1/b17-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4929-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.088 BindingDB Entry DOI: 10.7270/Q2H70GSS
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