Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50544886'   

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))	BDBM50544886 (CHEMBL4649199) Show SMILES CC(=O)NS(=O)(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)cc1 Show InChI InChI=1S/C20H17ClN4O4S2/c1-13(26)25-31(28,29)17-8-6-16(7-9-17)23-19-10-11-22-20(24-19)30-12-18(27)14-2-4-15(21)5-3-14/h2-11H,12H2,1H3,(H,25,26)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopp...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115329 BindingDB Entry DOI: 10.7270/Q2057KHR
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