Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50544879'   

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))	BDBM50544879 (CHEMBL4644477) Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccccc3)n2)cc1 Show InChI InChI=1S/C18H16N4O3S2/c19-27(24,25)15-8-6-14(7-9-15)21-17-10-11-20-18(22-17)26-12-16(23)13-4-2-1-3-5-13/h1-11H,12H2,(H2,19,24,25)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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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