Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50544884'   

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))	BDBM50544884 (CHEMBL4643678) Show SMILES COc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H18N4O4S2/c1-27-15-6-2-13(3-7-15)17(24)12-28-19-21-11-10-18(23-19)22-14-4-8-16(9-5-14)29(20,25)26/h2-11H,12H2,1H3,(H2,20,25,26)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	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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