Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM278539'   

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))	BDBM278539 ((2E)-3-(1-{[5-(3-Methyloxetan-3-yl)-3-(2,4,6-trich...) Show SMILES CC1(COC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl |(-1.71,-3.38,;-2.8,-2.29,;-1.46,-1.52,;-2.23,-.18,;-3.57,-.95,;-4.29,-2.69,;-5.53,-1.78,;-6.78,-2.69,;-6.3,-4.15,;-4.76,-4.15,;-3.99,-5.49,;-4.76,-6.82,;-2.45,-5.49,;-1.55,-4.24,;-.08,-4.72,;-.08,-6.26,;1.06,-7.29,;2.55,-6.89,;2.95,-5.4,;4.44,-5,;5.52,-6.09,;4.83,-3.51,;.74,-8.79,;-.72,-9.27,;-1.87,-8.24,;-1.55,-6.73,;-7.7,-5.46,;-7.3,-6.94,;-5.81,-7.34,;-8.39,-8.03,;-9.88,-7.63,;-10.96,-8.72,;-10.27,-6.15,;-9.18,-5.06,;-9.58,-3.57,)| Show InChI InChI=1S/C25H17Cl3N2O5/c1-25(11-34-12-25)23-21(22(29-35-23)20-16(27)9-14(26)10-17(20)28)24(33)30-8-7-15-13(5-6-19(31)32)3-2-4-18(15)30/h2-10H,11-12H2,1H3,(H,31,32)/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	25
Daiichi Sankyo Company, Limited; National Cancer Center US Patent					Assay Description The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Nov...				US Patent US10040791 (2018) BindingDB Entry DOI: 10.7270/Q2JS9SF8
					More data for this Ligand-Target Pair