Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50043909'   

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))	BDBM50043909 (3-{2-[[2-(2-Methoxy-ethoxy)-ethyl]-(2-methoxy-ethy...) Show SMILES COCCOCCN(CCOC)CCC1C(=O)Nc2cc(sc2S1(=O)=O)S(N)(=O)=O Show InChI InChI=1S/C16H27N3O8S3/c1-25-7-5-19(6-8-27-10-9-26-2)4-3-13-15(20)18-12-11-14(30(17,23)24)28-16(12)29(13,21)22/h11,13H,3-10H2,1-2H3,(H,18,20)(H2,17,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.10	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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