null

SMILES: CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1(CC1)C#N

InChI Key: InChIKey=MYKYWLOGLNIXHI-XGAFWQRZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 415987   

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))	BDBM415987 (1-(6-{[trans-4-(1- methylethoxy)cyclohexyl]- carbo...) Show SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1(CC1)C#N |r,wU:7.10,wD:4.3,(3.03,6.85,;2.26,5.52,;.72,5.52,;3.03,4.19,;2.26,2.85,;.72,2.85,;-.05,1.52,;.72,.19,;2.26,.19,;3.03,1.52,;-.05,-1.15,;-1.59,-1.15,;.72,-2.48,;2.26,-2.48,;3.22,-3.68,;4.69,-3.23,;5.82,-4.28,;5.48,-5.78,;4,-6.23,;2.88,-5.19,;1.49,-5.85,;.1,-5.19,;-1.03,-6.23,;-2.5,-5.78,;-2.84,-4.28,;-1.71,-3.23,;-.24,-3.68,;-4.33,-3.88,;-4.73,-2.39,;-5.82,-3.48,;-3.93,-5.37,;-3.53,-6.85,)| Show InChI InChI=1S/C26H30N4O2/c1-17(2)32-21-8-5-18(6-9-21)25(31)30-15-19-4-3-13-28-24(19)29-22-10-7-20(14-23(22)30)26(16-27)11-12-26/h3-4,7,10,13-14,17-18,21H,5-6,8-9,11-12,15H2,1-2H3,(H,28,29)/t18-,21-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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