Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50523344'   

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))	BDBM50523344 (CHEMBL4566532) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(cc1=O)N1CCCCCC1 Show InChI InChI=1S/C16H20N4O3S/c17-24(22,23)15-7-5-13(6-8-15)20-16(21)11-14(12-18-20)19-9-3-1-2-4-10-19/h5-8,11-12H,1-4,9-10H2,(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
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