Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50349844'   

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))	BDBM50349844 (CHEMBL1813214) Show SMILES CC(Nc1nc(NCc2ccc(cc2)S(N)(=O)=O)nc(NC(C)C(O)=O)n1)C(O)=O Show InChI InChI=1S/C16H21N7O6S/c1-8(12(24)25)19-15-21-14(22-16(23-15)20-9(2)13(26)27)18-7-10-3-5-11(6-4-10)30(17,28)29/h3-6,8-9H,7H2,1-2H3,(H,24,25)(H,26,27)(H2,17,28,29)(H3,18,19,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	435	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 human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
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