Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146329'   

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))	BDBM146329 (US8957068, 448 | US8957068, 449) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(Oc3ccc(F)cc3)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C23H24FN5O3/c1-14(2)20-13-31-23(30)29(20)21-10-11-25-22(28-21)27-15(3)19-9-8-18(12-26-19)32-17-6-4-16(24)5-7-17/h4-12,14-15,20H,13H2,1-3H3,(H,25,27,28)/t15?,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146329 (US8957068, 448 | US8957068, 449) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(Oc3ccc(F)cc3)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C23H24FN5O3/c1-14(2)20-13-31-23(30)29(20)21-10-11-25-22(28-21)27-15(3)19-9-8-18(12-26-19)32-17-6-4-16(24)5-7-17/h4-12,14-15,20H,13H2,1-3H3,(H,25,27,28)/t15?,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37.3	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))	BDBM146329 (US8957068, 448 | US8957068, 449) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(Oc3ccc(F)cc3)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C23H24FN5O3/c1-14(2)20-13-31-23(30)29(20)21-10-11-25-22(28-21)27-15(3)19-9-8-18(12-26-19)32-17-6-4-16(24)5-7-17/h4-12,14-15,20H,13H2,1-3H3,(H,25,27,28)/t15?,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.43E+3	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