Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50012223'   

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))	BDBM50012223 (5-{2-(4-Fluoro-phenyl)-1-[[2-(2-methoxy-ethoxy)-et...) Show SMILES COCCOCCN(CCOC)C(Cc1ccc(F)cc1)c1cc2cc(sc2s1)S(N)(=O)=O Show InChI InChI=1S/C22H29FN2O5S3/c1-28-9-7-25(8-10-30-12-11-29-2)19(13-16-3-5-18(23)6-4-16)20-14-17-15-21(33(24,26)27)32-22(17)31-20/h3-6,14-15,19H,7-13H2,1-2H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against human carbonic anhydrase II				J Med Chem 34: 1805-18 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q25D8SFP
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