Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146469'   

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 (Homo sapiens (Human))	BDBM146469 (US8957068, 601) Show SMILES COC1CCN(CC1)C(=O)c1ccc(cc1F)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r| Show InChI InChI=1S/C25H32FN5O4/c1-15(2)21-14-35-25(33)31(21)22-7-10-27-24(29-22)28-16(3)17-5-6-19(20(26)13-17)23(32)30-11-8-18(34-4)9-12-30/h5-7,10,13,15-16,18,21H,8-9,11-12,14H2,1-4H3,(H,27,28,29)/t16-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146469 (US8957068, 601) Show SMILES COC1CCN(CC1)C(=O)c1ccc(cc1F)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r| Show InChI InChI=1S/C25H32FN5O4/c1-15(2)21-14-35-25(33)31(21)22-7-10-27-24(29-22)28-16(3)17-5-6-19(20(26)13-17)23(32)30-11-8-18(34-4)9-12-30/h5-7,10,13,15-16,18,21H,8-9,11-12,14H2,1-4H3,(H,27,28,29)/t16-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair