Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM442722'   

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))	BDBM442722 (US10647719, Example 3.00) Show SMILES NS(=O)(=O)c1ccc(C(=O)N2CC3=C(CN(C3)C(=O)\C=C\c3ccc(OC(F)(F)F)cc3)C2)c(F)c1 |t:12| Show InChI InChI=1S/C23H19F4N3O5S/c24-20-9-18(36(28,33)34)6-7-19(20)22(32)30-12-15-10-29(11-16(15)13-30)21(31)8-3-14-1-4-17(5-2-14)35-23(25,26)27/h1-9H,10-13H2,(H2,28,33,34)/b8-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10647719 (2020) BindingDB Entry DOI: 10.7270/Q2V98C4V
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