Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase 2' and Ligand = 'BDBM248103'   

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
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248103 (IMPDH II inhibitor, 20) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3OCOc3c2)c1 |r| Show InChI InChI=1S/C22H24N4O5/c1-3-18(9-10-23)31-22(28)24-14(2)15-5-4-6-16(11-15)25-21(27)26-17-7-8-19-20(12-17)30-13-29-19/h4-8,11-12,14,18H,3,9,13H2,1-2H3,(H,24,28)(H2,25,26,27)/t14-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
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