null

SMILES: CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(F)cnc2Nc2cc(F)c(cc12)N1C2CCC1COC2

InChI Key: InChIKey=VTSVVHIHYFKVQE-FJPFQHQDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 412535   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM412535 (US10399972, Example 26 | [3,9-difluoro-8-(3-oxa-8-...) Show SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(F)cnc2Nc2cc(F)c(cc12)N1C2CCC1COC2 |r,wU:7.10,wD:4.3,(6.54,2.79,;6.19,4.29,;7.32,5.34,;4.72,4.74,;3.59,3.7,;2.12,4.15,;.99,3.1,;1.34,1.6,;2.81,1.15,;3.94,2.2,;.21,.55,;-1.26,1.01,;.55,-.95,;2.05,-1.29,;2.72,-2.68,;4.25,-2.56,;5.12,-3.83,;6.66,-3.72,;4.45,-5.22,;2.92,-5.34,;2.05,-4.07,;.55,-4.41,;-.65,-3.45,;-1.99,-4.22,;-3.32,-3.45,;-4.66,-4.22,;-3.32,-1.91,;-1.99,-1.14,;-.65,-1.91,;-4.66,-1.14,;-4.66,.4,;-6.2,.4,;-6.76,-.57,;-5.99,-1.91,;-7.32,-1.14,;-7.32,.4,;-5.99,1.17,)| Show InChI InChI=1S/C28H34F2N4O3/c1-16(2)37-22-7-3-17(4-8-22)28(35)33-13-18-9-19(29)12-31-27(18)32-24-10-23(30)25(11-26(24)33)34-20-5-6-21(34)15-36-14-20/h9-12,16-17,20-22H,3-8,13-15H2,1-2H3,(H,31,32)/t17-,20?,21?,22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	13.8	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
					More data for this Ligand-Target Pair