Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM246587'   

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))	BDBM246587 ((2,3-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...) Show SMILES COc1ccc(cc1OC)C(N)c1cccc(OC)c1OC Show InChI InChI=1S/C17H21NO4/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10,16H,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.33E+4	-23.6	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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