Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50320506'   

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))	BDBM50320506 (4-[N'-(1,1-Dioxopyrido[4,3-e]-1,4,2-dithiazin-3-yl...) Show SMILES NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1 |w:11.11| Show InChI InChI=1S/C11H10N6O4S3/c12-23(18,19)9-5-13-3-1-7(9)15-16-11-17-24(20,21)10-6-14-4-2-8(10)22-11/h1-6H,(H,13,15)(H,16,17)(H2,12,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 45: 2396-404 (2010) Article DOI: 10.1016/j.ejmech.2010.02.020 BindingDB Entry DOI: 10.7270/Q2M908W8
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