Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM278541'   

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))	BDBM278541 ( (2E)-3-(1-{[5-(3-Methoxyoxetan-3-yl)-3-(2,4,6-tri...) Show SMILES COC1(COC1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cc(Cl)cc1Cl |(1.78,2.94,;.45,2.17,;-.89,2.94,;.2,4.03,;-.89,5.12,;-1.98,4.03,;-2.22,2.17,;-3.47,3.07,;-4.71,2.17,;-4.24,.7,;-2.7,.7,;-1.93,-.63,;-2.57,-1.74,;-.39,-.63,;.52,.62,;1.98,.14,;1.98,-1.4,;3.13,-2.43,;4.61,-2.03,;5.01,-.54,;6.5,-.14,;7.59,-1.23,;6.9,1.34,;2.81,-3.94,;1.34,-4.41,;.2,-3.38,;.52,-1.87,;-5.28,-1.12,;-6.82,-1.12,;-7.59,.22,;-7.59,-2.45,;-6.82,-3.78,;-7.59,-5.12,;-5.28,-3.78,;-4.51,-2.45,;-2.97,-2.45,)| Show InChI InChI=1S/C25H17Cl3N2O6/c1-34-25(11-35-12-25)23-21(22(29-36-23)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	7	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