null

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc(s2)-c2ccccc2)n1

InChI Key: InChIKey=IRGBHMIQDXZZDP-BZSJEYESSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 146320   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM146320 (US8957068, 431 | US8957068, 432) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc(s2)-c2ccccc2)n1 |r,w:15.16| Show InChI InChI=1S/C21H23N5O2S/c1-13(2)16-12-28-21(27)26(16)18-9-10-22-20(25-18)24-14(3)17-11-23-19(29-17)15-7-5-4-6-8-15/h4-11,13-14,16H,12H2,1-3H3,(H,22,24,25)/t14?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	568	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))	BDBM146320 (US8957068, 431 | US8957068, 432) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc(s2)-c2ccccc2)n1 |r,w:15.16| Show InChI InChI=1S/C21H23N5O2S/c1-13(2)16-12-28-21(27)26(16)18-9-10-22-20(25-18)24-14(3)17-11-23-19(29-17)15-7-5-4-6-8-15/h4-11,13-14,16H,12H2,1-3H3,(H,22,24,25)/t14?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44.8	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))	BDBM146320 (US8957068, 431 | US8957068, 432) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc(s2)-c2ccccc2)n1 |r,w:15.16| Show InChI InChI=1S/C21H23N5O2S/c1-13(2)16-12-28-21(27)26(16)18-9-10-22-20(25-18)24-14(3)17-11-23-19(29-17)15-7-5-4-6-8-15/h4-11,13-14,16H,12H2,1-3H3,(H,22,24,25)/t14?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	811	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))	BDBM146320 (US8957068, 431 | US8957068, 432) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2cnc(s2)-c2ccccc2)n1 |r,w:15.16| Show InChI InChI=1S/C21H23N5O2S/c1-13(2)16-12-28-21(27)26(16)18-9-10-22-20(25-18)24-14(3)17-11-23-19(29-17)15-7-5-4-6-8-15/h4-11,13-14,16H,12H2,1-3H3,(H,22,24,25)/t14?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	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