Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50154318'   

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))	BDBM50154318 ((2S,3S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-thioure...) Show SMILES CC[C@H](C)[C@H](NC(=S)Nc1ccc(cc1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C13H19N3O4S2/c1-3-8(2)11(12(17)18)16-13(21)15-9-4-6-10(7-5-9)22(14,19)20/h4-8,11H,3H2,1-2H3,(H,17,18)(H2,14,19,20)(H2,15,16,21)/t8-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory activity against human Carbonic anhydrase II				J Med Chem 47: 5224-9 (2004) Article DOI: 10.1021/jm049692i BindingDB Entry DOI: 10.7270/Q24F1RHJ
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