Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50538706'   

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))	BDBM50538706 (CHEMBL4649709) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H18FN3O4S/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(7-5-13)27(20,25)26/h1-7,12H,8-11H2,(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.410	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 human CA2 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020) Article DOI: 10.1021/acsmedchemlett.0c00062 BindingDB Entry DOI: 10.7270/Q2CJ8J1N
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