Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50507822'   

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))	BDBM50507822 (CHEMBL4590736) Show SMILES CC(=O)C1(CCN(CC1)C(=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C20H22N2O4S/c1-15(23)20(17-5-3-2-4-6-17)11-13-22(14-12-20)19(24)16-7-9-18(10-8-16)27(21,25)26/h2-10H,11-14H2,1H3,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant full length human carbonic anhydrase-2 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped...				Eur J Med Chem 163: 443-452 (2019) Article DOI: 10.1016/j.ejmech.2018.11.073 BindingDB Entry DOI: 10.7270/Q23B63FB
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