Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM16666'   

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))	BDBM16666 (2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-chromene-3...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1 Show InChI InChI=1S/C18H16N2O5S/c19-26(23,24)14-7-5-12(6-8-14)9-10-20-17(21)15-11-13-3-1-2-4-16(13)25-18(15)22/h1-8,11H,9-10H2,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
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