Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50345223'   

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))	BDBM50345223 (2-ethyl-3-methyl-N-(4-sulfamoylphenyl)pentanamide ...) Show SMILES CCC(C)C(CC)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H22N2O3S/c1-4-10(3)13(5-2)14(17)16-11-6-8-12(9-7-11)20(15,18)19/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay				J Med Chem 54: 3977-81 (2011) Article DOI: 10.1021/jm200209n BindingDB Entry DOI: 10.7270/Q2736R8S
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