null

SMILES: CC(C)O[C@H]1CCC(CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1CCOCC1

InChI Key: InChIKey=FBZDOFPNUIMEEV-TYHZPSRNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 416206   

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))	BDBM416206 (US10442819, Example 351) Show SMILES CC(C)O[C@H]1CCC(CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1CCOCC1 |r,wU:4.3,(6.06,5.88,;5.29,4.54,;6.06,3.21,;3.75,4.54,;2.98,3.21,;3.75,1.88,;2.98,.54,;1.44,.54,;.67,1.88,;1.44,3.21,;.67,-.79,;-.87,-.79,;1.44,-2.12,;2.98,-2.12,;3.94,-3.33,;5.41,-2.87,;6.54,-3.92,;6.2,-5.42,;4.72,-5.88,;3.59,-4.83,;2.21,-5.5,;.82,-4.83,;-.31,-5.88,;-1.78,-5.42,;-2.12,-3.92,;-.99,-2.87,;.48,-3.33,;-3.59,-3.47,;-3.94,-1.97,;-5.41,-1.51,;-6.54,-2.56,;-6.2,-4.06,;-4.72,-4.52,)| Show InChI InChI=1S/C27H35N3O3/c1-18(2)33-23-8-5-20(6-9-23)27(31)30-17-22-4-3-13-28-26(22)29-24-10-7-21(16-25(24)30)19-11-14-32-15-12-19/h3-4,7,10,13,16,18-20,23H,5-6,8-9,11-12,14-15,17H2,1-2H3,(H,28,29)/t20?,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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 US10442819 (2019) BindingDB Entry DOI: 10.7270/Q2HQ428F
					More data for this Ligand-Target Pair