Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase 2' and Ligand = 'BDBM248099'   

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))	BDBM248099 (IMPDH II inhibitor, 16) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C3=CCOCC3)c(OC)c2)c1 |r,t:25| Show InChI InChI=1S/C27H32N4O5/c1-4-23(10-13-28)36-27(33)29-18(2)20-6-5-7-21(16-20)30-26(32)31-22-8-9-24(25(17-22)34-3)19-11-14-35-15-12-19/h5-9,11,16-18,23H,4,10,12,14-15H2,1-3H3,(H,29,33)(H2,30,31,32)/t18-,23?/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	3.50E+3	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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