Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292086'   

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))	BDBM50292086 (([2-(Bis-carboxymethyl-amino)-ethyl]-{[2-(5-sulfam...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C15H23N7O10S2/c16-34(31,32)15-20-19-14(33-15)18-9(23)1-2-17-10(24)5-21(6-11(25)26)3-4-22(7-12(27)28)8-13(29)30/h1-8H2,(H,17,24)(H,25,26)(H,27,28)(H,29,30)(H2,16,31,32)(H,18,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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 Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
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