Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM238302'   

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))	BDBM238302 (4-benzoyl-1-(3-((3-hydroxy-1-oxo-1-phenylbut-2-en-...) Show SMILES CC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C39H30N6O6S/c1-25(46)34(38(48)28-16-9-4-10-17-28)43-42-30-18-11-19-31(24-30)45-36(26-12-5-2-6-13-26)33(37(47)27-14-7-3-8-15-27)35(44-45)39(49)41-29-20-22-32(23-21-29)52(40,50)51/h2-24,42H,1H3,(H,41,49)(H2,40,50,51)/b43-34+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	166	-38.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Dumlupinar University					Assay Description CA activity was assayed in inhibition studies by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion o...				J Enzyme Inhib Med Chem 28: 328-36 (2013) Article DOI: 10.3109/14756366.2011.651465 BindingDB Entry DOI: 10.7270/Q2V986ZJ
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