Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM278628'   

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))	BDBM278628 ((2E)-3-(1-{[5-(1-Aminocyclobutyl)-3-(2,4,6-trichlo...) Show SMILES Cc1cn(C(=O)c2c(noc2C2(N)CCC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(2.79,-12.89,;1.46,-13.66,;-.01,-13.18,;-.91,-14.43,;-2.45,-14.43,;-3.22,-15.76,;-3.22,-13.1,;-4.76,-13.1,;-5.24,-11.63,;-3.99,-10.73,;-2.75,-11.63,;-1.41,-10.86,;-1.01,-9.37,;-1.41,-12.4,;.13,-12.4,;.13,-10.86,;-6.27,-14.4,;-5.87,-15.89,;-4.38,-16.29,;-6.96,-16.98,;-8.44,-16.58,;-9.53,-17.67,;-8.84,-15.09,;-7.75,-14,;-8.15,-12.51,;-.01,-15.67,;-.33,-17.18,;.82,-18.21,;2.28,-17.74,;2.6,-16.23,;4.09,-15.83,;4.49,-14.34,;5.98,-13.94,;7.07,-15.03,;6.38,-12.46,;1.46,-15.2,)| Show InChI InChI=1S/C26H20Cl3N3O4/c1-13-12-32(18-5-2-4-14(20(13)18)6-7-19(33)34)25(35)22-23(21-16(28)10-15(27)11-17(21)29)31-36-24(22)26(30)8-3-9-26/h2,4-7,10-12H,3,8-9,30H2,1H3,(H,33,34)/b7-6+	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