Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50532056'   

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))	BDBM50532056 (CHEMBL4104342) Show SMILES COc1cccc(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3NC2=O)c1OC Show InChI InChI=1S/C18H21N3O7S/c1-25-14-6-4-5-11(17(14)27-3)9-21-10-12-7-15(26-2)16(28-29(19,23)24)8-13(12)20-18(21)22/h4-8H,9-10H2,1-3H3,(H,20,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2 (unknown origin) by stopped-flow CO2 hydration assay				J Med Chem 62: 2202-2212 (2019) Article DOI: 10.1021/acs.jmedchem.8b01990 BindingDB Entry DOI: 10.7270/Q2765JSP
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