Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50237496'   

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))	BDBM50237496 (CHEMBL4100256) Show SMILES CC([O-])=O.CN(C(=O)Cc1ccc(cc1)-c1cccc[n+]1C)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H21N4O3S2/c1-13-18(28(20,25)26)27-19(21-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-22(16)2/h4-11H,12H2,1-3H3,(H2,20,25,26)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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 recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
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