Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM412540'   

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))	BDBM412540 ((8-((1R,4R)-2-oxa-5- azabicyclo[2.2.2]octan-5-yl)-...) Show SMILES Fc1cnc2Nc3cc(F)c(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1C[C@H]2CC[C@@H]1CO2 |r| Show InChI InChI=1S/C26H28F5N5O2/c27-17-7-16-11-36(25(37)15-3-5-34(6-4-15)14-26(29,30)31)23-9-22(35-12-19-2-1-18(35)13-38-19)20(28)8-21(23)33-24(16)32-10-17/h7-10,15,18-19H,1-6,11-14H2,(H,32,33)/t18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	18	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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