Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM246590'   

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))	BDBM246590 (N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methy...) Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cccc(OC)c1OC Show InChI InChI=1S/C18H23NO6S/c1-22-14-10-9-12(11-16(14)24-3)17(19-26(5,20)21)13-7-6-8-15(23-2)18(13)25-4/h6-11,17,19H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.23E+3	-28.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Atatürk University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 29: 168-74 (2014) Article DOI: 10.3109/14756366.2012.763163 BindingDB Entry DOI: 10.7270/Q2H99447
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