null

SMILES: CC(C)OC1CCC(CC1)C(=O)N1Cc2cccnc2Nc2cc(C)c(cc12)N1C[C@H]2CC[C@@H]1CO2

InChI Key: InChIKey=HDMHVZJYESAQHW-RSHDMXJRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 412569   

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))	BDBM412569 ((trans-4-isopropoxycyclohexyl){9- methyl-8-[(1R,4R...) Show SMILES CC(C)OC1CCC(CC1)C(=O)N1Cc2cccnc2Nc2cc(C)c(cc12)N1C[C@H]2CC[C@@H]1CO2 |r,wD:30.40,33.37,(6.54,2.79,;6.19,4.29,;7.32,5.34,;4.72,4.74,;3.59,3.7,;3.94,2.2,;2.81,1.15,;1.34,1.6,;.99,3.1,;2.12,4.15,;.21,.55,;-1.26,1.01,;.55,-.95,;2.05,-1.29,;2.72,-2.68,;4.25,-2.56,;5.12,-3.83,;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,;-5.99,-1.91,;-7.32,-1.14,;-5.82,-.9,;-6.2,.4,;-4.66,.4,;-5.99,1.17,;-7.32,.4,)| Show InChI InChI=1S/C29H38N4O3/c1-18(2)36-23-9-6-20(7-10-23)29(34)33-15-21-5-4-12-30-28(21)31-25-13-19(3)26(14-27(25)33)32-16-24-11-8-22(32)17-35-24/h4-5,12-14,18,20,22-24H,6-11,15-17H2,1-3H3,(H,30,31)/t20?,22-,23?,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	25.9	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