Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50294475'   

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))	BDBM50294475 ((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...) Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de La Plata Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5308-14 (2014) Article DOI: 10.1016/j.bmc.2014.07.052 BindingDB Entry DOI: 10.7270/Q2QZ2CKQ
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