Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50271198'   

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 12 (Homo sapiens (Human))	BDBM50271198 (CHEMBL4126627) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=NN(C(O1)c1cccc(c1)[N+]([O-])=O)C(C)=O |t:14| Show InChI InChI=1S/C18H16N4O7S/c1-11(23)20-30(27,28)16-8-6-13(7-9-16)17-19-21(12(2)24)18(29-17)14-4-3-5-15(10-14)22(25)26/h3-10,18H,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured...				ACS Med Chem Lett 8: 792-796 (2017) Article DOI: 10.1021/acsmedchemlett.7b00205 BindingDB Entry DOI: 10.7270/Q2FN18PV
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