Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 14' and Ligand = 'BDBM50345220'   

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 14 (Homo sapiens (Human))	BDBM50345220 (2-Isopropyl-3,3-dimethyl-N-(4-sulfamoylphenyl)buty...) Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(C)(C)C Show InChI InChI=1S/C15H24N2O3S/c1-10(2)13(15(3,4)5)14(18)17-11-6-8-12(9-7-11)21(16,19)20/h6-10,13H,1-5H3,(H,17,18)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	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 14 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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