Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50234174'   

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))	BDBM50234174 (CHEMBL4097591) Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H13N3O6S2/c14-23(19,20)12-5-1-10(2-6-12)9-15-24(21,22)13-7-3-11(4-8-13)16(17)18/h1-8,15H,9H2,(H2,14,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem Lett 27: 490-495 (2017) Article DOI: 10.1016/j.bmcl.2016.12.035 BindingDB Entry DOI: 10.7270/Q2PN97XS
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