Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM412520'   

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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM412520 ((8-((2S,5S)-2,5- dimethylmorpholino)-3-fluoro- 5,1...) Show SMILES C[C@H]1CN([C@@H](C)CO1)c1ccc2Nc3ncc(F)cc3CN(C(=O)C3CCN(CC(F)(F)F)CC3)c2c1 |r| Show InChI InChI=1S/C26H31F4N5O2/c1-16-14-37-17(2)12-34(16)21-3-4-22-23(10-21)35(13-19-9-20(27)11-31-24(19)32-22)25(36)18-5-7-33(8-6-18)15-26(28,29)30/h3-4,9-11,16-18H,5-8,12-15H2,1-2H3,(H,31,32)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	23.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10399972 (2019) BindingDB Entry DOI: 10.7270/Q2TH8Q2V
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