Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM11609'   

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))	BDBM11609 (β-CA inhibitor, 8 | 4-Amino-5-bromo-3-chlorob...) Show SMILES Nc1c(Cl)cc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H6BrClN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Agricultural Sciences and Veterinary Medicine					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 46: 2187-96 (2003) Article DOI: 10.1021/jm021123s BindingDB Entry DOI: 10.7270/Q2XK8CR9
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11609 (β-CA inhibitor, 8 | 4-Amino-5-bromo-3-chlorob...) Show SMILES Nc1c(Cl)cc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H6BrClN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.62E+3	-30.5	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair