Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50043902'   

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))	BDBM50043902 (3-(2-Morpholin-4-yl-ethyl)-4,4-dioxo-1,2,3,4-tetra...) Show SMILES NS(=O)(=O)c1cc2NCC(CCN3CCOCC3)S(=O)(=O)c2s1 Show InChI InChI=1S/C12H19N3O5S3/c13-23(18,19)11-7-10-12(21-11)22(16,17)9(8-14-10)1-2-15-3-5-20-6-4-15/h7,9,14H,1-6,8H2,(H2,13,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for ability to compete with dansylamide for binding to human erythrocyte carbonic-anhydrase-II (HCA-II)				J Med Chem 37: 240-7 (1994) BindingDB Entry DOI: 10.7270/Q2N29XKD
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