Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-carbonic anhydrase 1' and Ligand = 'BDBM33278'   

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)	BDBM33278 (sulfonate, 4) Show SMILES CN(CS([O-])(=O)=O)c1ccccc1 Show InChI InChI=1S/C8H11NO3S/c1-9(7-13(10,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11,12)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	7.86E+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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