Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50028270'   

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))	BDBM50028270 (CHEMBL3342247) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCOS(N)(=O)=O |r| Show InChI InChI=1S/C16H26N2O14S2/c1-8(19)27-7-12-13(29-9(2)20)14(30-10(3)21)15(31-11(4)22)16(32-12)33(23,24)18-5-6-28-34(17,25)26/h12-16,18H,5-7H2,1-4H3,(H2,17,25,26)/t12-,13-,14+,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay				J Med Chem 57: 8635-45 (2014) Article DOI: 10.1021/jm5012935 BindingDB Entry DOI: 10.7270/Q2QF8VFT
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