Compile Data Set for Download or QSAR

Found 870 hits Enz. Inhib. hit(s) with all data for entry = 6684   

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))	BDBM146458 (US8957068, 590) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(F)c2)n1 |r| Show InChI InChI=1S/C24H30FN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.5	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))	BDBM146444 (US8957068, 573) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)n1 |r| Show InChI InChI=1S/C25H32FN5O3/c1-15(2)21-14-34-25(33)31(21)22-11-12-27-24(30-22)28-16(3)17-9-10-19(20(26)13-17)23(32)29-18-7-5-4-6-8-18/h9-13,15-16,18,21H,4-8,14H2,1-3H3,(H,29,32)(H,27,28,30)/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	7.86	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))	BDBM146403 (US8957068, 531) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)n1 |r| Show InChI InChI=1S/C25H32ClN5O3/c1-15(2)21-14-34-25(33)31(21)22-11-12-27-24(30-22)28-16(3)17-9-10-19(20(26)13-17)23(32)29-18-7-5-4-6-8-18/h9-13,15-16,18,21H,4-8,14H2,1-3H3,(H,29,32)(H,27,28,30)/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	8.12	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))	BDBM146402 (US8957068, 530) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(Cl)c2)n1 |r| Show InChI InChI=1S/C24H30ClN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.35	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))	BDBM146334 (US8957068, 457) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C23H23F3N6O2/c1-13(2)18-12-34-22(33)32(18)19-7-8-27-21(31-19)30-14(3)20-28-10-16(11-29-20)15-5-4-6-17(9-15)23(24,25)26/h4-11,13-14,18H,12H2,1-3H3,(H,27,30,31)/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	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))	BDBM146183 (US8957068, 235) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)OCc3ccccc3)cc2)n1 |r| Show InChI InChI=1S/C31H38N6O4/c1-22(2)27-21-41-31(39)37(27)28-13-14-32-29(34-28)33-23(3)26-11-9-24(10-12-26)19-35-15-17-36(18-16-35)30(38)40-20-25-7-5-4-6-8-25/h4-14,22-23,27H,15-21H2,1-3H3,(H,32,33,34)/t23-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.1	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))	BDBM146172 (US8957068, 224) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(F)(F)CC3)cc2)n1 |r| Show InChI InChI=1S/C24H31F2N5O2/c1-16(2)20-15-33-23(32)31(20)21-8-11-27-22(29-21)28-17(3)19-6-4-18(5-7-19)14-30-12-9-24(25,26)10-13-30/h4-8,11,16-17,20H,9-10,12-15H2,1-3H3,(H,27,28,29)/t17-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.6	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))	BDBM146155 (US8957068, 207) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2ccnc(C)c2)n1 |r| Show InChI InChI=1S/C24H27N5O2/c1-15(2)21-14-31-24(30)29(21)22-10-12-26-23(28-22)27-17(4)18-5-7-19(8-6-18)20-9-11-25-16(3)13-20/h5-13,15,17,21H,14H2,1-4H3,(H,26,27,28)/t17-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.9	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))	BDBM146173 (US8957068, 225) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(CC3)OCC(F)(F)F)c(F)c2)n1 |r,wU:15.16,wD:3.2,(9.9,-1.54,;9.13,-.21,;7.59,-.21,;9.9,1.13,;11.44,1.13,;11.92,2.59,;10.67,3.5,;10.67,5.04,;9.42,2.59,;8.09,3.36,;8.09,4.9,;6.76,5.67,;5.42,4.9,;5.42,3.36,;4.09,2.59,;4.09,1.05,;5.42,.28,;2.76,.28,;2.76,-1.26,;1.42,-2.03,;.09,-1.26,;-1.25,-2.03,;-1.25,-3.57,;-2.58,-1.26,;-3.91,-2.03,;-5.25,-1.26,;-6.58,-2.03,;-6.58,-3.57,;-5.25,-4.34,;-3.91,-3.57,;-7.91,-4.34,;-9.25,-3.57,;-9.25,-2.03,;-9.25,-.49,;-7.71,-2.03,;-10.79,-2.03,;.09,.28,;-1.25,1.05,;1.42,1.05,;6.76,2.59,)| Show InChI InChI=1S/C27H33F4N5O4/c1-15(2)22-13-39-26(38)36(22)23-10-11-32-25(35-23)33-16(3)17-4-9-20(21(28)12-17)24(37)34-18-5-7-19(8-6-18)40-14-27(29,30)31/h4,9-12,15-16,18-19,22H,5-8,13-14H2,1-3H3,(H,34,37)(H,32,33,35)/t16-,18?,19?,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.3	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))	BDBM146459 (US8957068, 591) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(F)(F)CC3)c(F)c2)n1 |r| Show InChI InChI=1S/C25H30F3N5O3/c1-14(2)20-13-36-24(35)33(20)21-8-11-29-23(32-21)30-15(3)16-4-5-18(19(26)12-16)22(34)31-17-6-9-25(27,28)10-7-17/h4-5,8,11-12,14-15,17,20H,6-7,9-10,13H2,1-3H3,(H,31,34)(H,29,30,32)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	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))	BDBM146423 (US8957068, 552) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCCC(F)(F)C3)cc2)n1 |r| Show InChI InChI=1S/C24H31F2N5O2/c1-16(2)20-14-33-23(32)31(20)21-9-11-27-22(29-21)28-17(3)19-7-5-18(6-8-19)13-30-12-4-10-24(25,26)15-30/h5-9,11,16-17,20H,4,10,12-15H2,1-3H3,(H,27,28,29)/t17-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19.9	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))	BDBM146164 (US8957068, 216) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)C(C)(C)C3)c(F)c2)n1 |r| Show InChI InChI=1S/C26H37FN6O2/c1-17(2)22-15-35-25(34)33(22)23-9-10-28-24(30-23)29-18(3)19-7-8-20(21(27)13-19)14-32-12-11-31(6)26(4,5)16-32/h7-10,13,17-18,22H,11-12,14-16H2,1-6H3,(H,28,29,30)/t18-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.6	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))	BDBM146396 (US8957068, 524) Show SMILES CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r| Show InChI InChI=1S/C23H30N4O3/c1-5-30-23(11-12-23)18-8-6-17(7-9-18)16(4)25-21-24-13-10-20(26-21)27-19(15(2)3)14-29-22(27)28/h6-10,13,15-16,19H,5,11-12,14H2,1-4H3,(H,24,25,26)/t16-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21.1	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))	BDBM146402 (US8957068, 530) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(Cl)c2)n1 |r| Show InChI InChI=1S/C24H30ClN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146340 (US8957068, 464) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2ccc(F)c(C)c2)n1 |r,w:15.16| Show InChI InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146423 (US8957068, 552) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCCC(F)(F)C3)cc2)n1 |r| Show InChI InChI=1S/C24H31F2N5O2/c1-16(2)20-14-33-23(32)31(20)21-9-11-27-22(29-21)28-17(3)19-7-5-18(6-8-19)13-30-12-4-10-24(25,26)15-30/h5-9,11,16-17,20H,4,10,12-15H2,1-3H3,(H,27,28,29)/t17-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146426 (US8957068, 555) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CC(F)(F)C(F)(F)C3)cc2)n1 |r| Show InChI InChI=1S/C23H27F4N5O2/c1-14(2)18-11-34-21(33)32(18)19-8-9-28-20(30-19)29-15(3)17-6-4-16(5-7-17)10-31-12-22(24,25)23(26,27)13-31/h4-9,14-15,18H,10-13H2,1-3H3,(H,28,29,30)/t15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146458 (US8957068, 590) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(F)c2)n1 |r| Show InChI InChI=1S/C24H30FN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146334 (US8957068, 457) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C23H23F3N6O2/c1-13(2)18-12-34-22(33)32(18)19-7-8-27-21(31-19)30-14(3)20-28-10-16(11-29-20)15-5-4-6-17(9-15)23(24,25)26/h4-11,13-14,18H,12H2,1-3H3,(H,27,30,31)/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146127 (US8957068, 162) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 |r| Show InChI InChI=1S/C24H26N4O3/c1-16(2)21-15-30-24(29)28(21)22-13-14-25-23(27-22)26-17(3)18-9-11-20(12-10-18)31-19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,25,26,27)/t17-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	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))	BDBM146172 (US8957068, 224) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC(F)(F)CC3)cc2)n1 |r| Show InChI InChI=1S/C24H31F2N5O2/c1-16(2)20-15-33-23(32)31(20)21-8-11-27-22(29-21)28-17(3)19-6-4-18(5-7-19)14-30-12-9-24(25,26)10-13-30/h4-8,11,16-17,20H,9-10,12-15H2,1-3H3,(H,27,28,29)/t17-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146213 (US8957068, 265) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccc(F)cc3)cc2)n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-15(2)21-14-31-24(30)29(21)22-12-13-26-23(28-22)27-16(3)17-4-8-19(9-5-17)32-20-10-6-18(25)7-11-20/h4-13,15-16,21H,14H2,1-3H3,(H,26,27,28)/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	<22	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))	BDBM146229 (US8957068, 281) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(=O)c2ccccc2)n1 |r| Show InChI InChI=1S/C25H26N4O3/c1-16(2)21-15-32-25(31)29(21)22-13-14-26-24(28-22)27-17(3)18-9-11-20(12-10-18)23(30)19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,26,27,28)/t17-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146274 (US8957068, 339 | US8957068, 340) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)N(C)c2ccccc2)n1 |r,w:15.16| Show InChI InChI=1S/C25H29N5O2/c1-17(2)22-16-32-25(31)30(22)23-14-15-26-24(28-23)27-18(3)19-10-12-21(13-11-19)29(4)20-8-6-5-7-9-20/h5-15,17-18,22H,16H2,1-4H3,(H,26,27,28)/t18?,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146459 (US8957068, 591) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(F)(F)CC3)c(F)c2)n1 |r| Show InChI InChI=1S/C25H30F3N5O3/c1-14(2)20-13-36-24(35)33(20)21-8-11-29-23(32-21)30-15(3)16-4-5-18(19(26)12-16)22(34)31-17-6-9-25(27,28)10-7-17/h4-5,8,11-12,14-15,17,20H,6-7,9-10,13H2,1-3H3,(H,31,34)(H,29,30,32)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<22	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))	BDBM146213 (US8957068, 265) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccc(F)cc3)cc2)n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-15(2)21-14-31-24(30)29(21)22-12-13-26-23(28-22)27-16(3)17-4-8-19(9-5-17)32-20-10-6-18(25)7-11-20/h4-13,15-16,21H,14H2,1-3H3,(H,26,27,28)/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	23.2	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))	BDBM146260 (US8957068, 312) Show SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)ncc1F |r| Show InChI InChI=1S/C25H34FN5O3/c1-15(2)22-14-33-25(32)31(22)23-21(26)10-27-24(29-23)28-18(5)20-8-6-19(7-9-20)13-30-11-16(3)34-17(4)12-30/h6-10,15-18,22H,11-14H2,1-5H3,(H,27,28,29)/t16-,17+,18-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	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))	BDBM146160 (US8957068, 212) Show SMILES C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC11CCCC1)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C25H25FN4O3/c1-17(18-9-11-20(12-10-18)33-19-7-3-2-4-8-19)28-23-27-15-21(26)22(29-23)30-24(31)32-16-25(30)13-5-6-14-25/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,27,28,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	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))	BDBM146151 (US8957068, 201 | US8957068, 202) Show SMILES COc1ccc(cc1)-n1cc(cn1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15| Show InChI InChI=1S/C22H26N6O3/c1-14(2)19-13-31-22(29)28(19)20-9-10-23-21(26-20)25-15(3)16-11-24-27(12-16)17-5-7-18(30-4)8-6-17/h5-12,14-15,19H,13H2,1-4H3,(H,23,25,26)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	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))	BDBM146173 (US8957068, 225) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(CC3)OCC(F)(F)F)c(F)c2)n1 |r,wU:15.16,wD:3.2,(9.9,-1.54,;9.13,-.21,;7.59,-.21,;9.9,1.13,;11.44,1.13,;11.92,2.59,;10.67,3.5,;10.67,5.04,;9.42,2.59,;8.09,3.36,;8.09,4.9,;6.76,5.67,;5.42,4.9,;5.42,3.36,;4.09,2.59,;4.09,1.05,;5.42,.28,;2.76,.28,;2.76,-1.26,;1.42,-2.03,;.09,-1.26,;-1.25,-2.03,;-1.25,-3.57,;-2.58,-1.26,;-3.91,-2.03,;-5.25,-1.26,;-6.58,-2.03,;-6.58,-3.57,;-5.25,-4.34,;-3.91,-3.57,;-7.91,-4.34,;-9.25,-3.57,;-9.25,-2.03,;-9.25,-.49,;-7.71,-2.03,;-10.79,-2.03,;.09,.28,;-1.25,1.05,;1.42,1.05,;6.76,2.59,)| Show InChI InChI=1S/C27H33F4N5O4/c1-15(2)22-13-39-26(38)36(22)23-10-11-32-25(35-23)33-16(3)17-4-9-20(21(28)12-17)24(37)34-18-5-7-19(8-6-18)40-14-27(29,30)31/h4,9-12,15-16,18-19,22H,5-8,13-14H2,1-3H3,(H,34,37)(H,32,33,35)/t16-,18?,19?,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	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))	BDBM146396 (US8957068, 524) Show SMILES CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r| Show InChI InChI=1S/C23H30N4O3/c1-5-30-23(11-12-23)18-8-6-17(7-9-18)16(4)25-21-24-13-10-20(26-21)27-19(15(2)3)14-29-22(27)28/h6-10,13,15-16,19H,5,11-12,14H2,1-4H3,(H,24,25,26)/t16-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	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))	BDBM146269 (US8957068, 329 | US8957068, 330) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(Oc3cccnc3)c(F)c2)n1 |r,w:15.16| Show InChI InChI=1S/C23H24FN5O3/c1-14(2)19-13-31-23(30)29(19)21-8-10-26-22(28-21)27-15(3)16-6-7-20(18(24)11-16)32-17-5-4-9-25-12-17/h4-12,14-15,19H,13H2,1-3H3,(H,26,27,28)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	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))	BDBM146265 (US8957068, 321 | US8957068, 322) Show SMILES COc1cccc(c1)-n1cc(cn1)C(C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r,w:13.15| Show InChI InChI=1S/C22H26N6O3/c1-14(2)19-13-31-22(29)28(19)20-8-9-23-21(26-20)25-15(3)16-11-24-27(12-16)17-6-5-7-18(10-17)30-4/h5-12,14-15,19H,13H2,1-4H3,(H,23,25,26)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	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))	BDBM146327 (US8957068, 444 | US8957068, 445) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cn2)-c2ccc(F)c(C)c2)n1 |r,w:15.16| Show InChI InChI=1S/C24H26FN5O2/c1-14(2)21-13-32-24(31)30(21)22-9-10-26-23(29-22)28-16(4)20-8-6-18(12-27-20)17-5-7-19(25)15(3)11-17/h5-12,14,16,21H,13H2,1-4H3,(H,26,28,29)/t16?,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26.6	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))	BDBM146274 (US8957068, 339 | US8957068, 340) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(cc2)N(C)c2ccccc2)n1 |r,w:15.16| Show InChI InChI=1S/C25H29N5O2/c1-17(2)22-16-32-25(31)30(22)23-14-15-26-24(28-23)27-18(3)19-10-12-21(13-11-19)29(4)20-8-6-5-7-9-20/h5-15,17-18,22H,16H2,1-4H3,(H,26,27,28)/t18?,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27.6	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))	BDBM146275 (US8957068, 341 | US8957068, 342) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(c(F)c2)-n2cc(C)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C22H25FN6O2/c1-13(2)19-12-31-22(30)29(19)20-7-8-24-21(27-20)26-15(4)16-5-6-18(17(23)9-16)28-11-14(3)10-25-28/h5-11,13,15,19H,12H2,1-4H3,(H,24,26,27)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27.8	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))	BDBM146387 (US8957068, 515) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2F)C2(C)CC2)n1 |r| Show InChI InChI=1S/C22H27FN4O2/c1-13(2)18-12-29-21(28)27(18)19-7-10-24-20(26-19)25-14(3)16-6-5-15(11-17(16)23)22(4)8-9-22/h5-7,10-11,13-14,18H,8-9,12H2,1-4H3,(H,24,25,26)/t14-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28.7	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))	BDBM146275 (US8957068, 341 | US8957068, 342) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(c(F)c2)-n2cc(C)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C22H25FN6O2/c1-13(2)19-12-31-22(30)29(19)20-7-8-24-21(27-20)26-15(4)16-5-6-18(17(23)9-16)28-11-14(3)10-25-28/h5-11,13,15,19H,12H2,1-4H3,(H,24,26,27)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	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))	BDBM146382 (US8957068, 510 | US8957068, 514) Show SMILES C[C@H](Nc1nc(Cl)cc(n1)N1C(=O)OCC1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18Cl2N6O3/c1-10(16-25-15(26-30-16)11-4-6-12(20)7-5-11)22-17-23-13(21)8-14(24-17)27-18(28)29-9-19(27,2)3/h4-8,10H,9H2,1-3H3,(H,22,23,24)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29.4	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))	BDBM146316 (US8957068, 425 | US8957068, 426) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2nc(no2)-c2ccc(Cl)cc2)n1 |r,w:15.16| Show InChI InChI=1S/C20H21ClN6O3/c1-11(2)15-10-29-20(28)27(15)16-8-9-22-19(24-16)23-12(3)18-25-17(26-30-18)13-4-6-14(21)7-5-13/h4-9,11-12,15H,10H2,1-3H3,(H,22,23,24)/t12?,15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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))	BDBM146188 (US8957068, 240) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(=O)NC2CCCCC2)n1 |r| Show InChI InChI=1S/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-19(12-10-18)23(31)28-20-7-5-4-6-8-20/h9-14,16-17,20-21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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))	BDBM146164 (US8957068, 216) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)C(C)(C)C3)c(F)c2)n1 |r| Show InChI InChI=1S/C26H37FN6O2/c1-17(2)22-15-35-25(34)33(22)23-9-10-28-24(30-23)29-18(3)19-7-8-20(21(27)13-19)14-32-12-11-31(6)26(4,5)16-32/h7-10,13,17-18,22H,11-12,14-16H2,1-6H3,(H,28,29,30)/t18-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	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))	BDBM146198 (US8957068, 250) Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OC[C@]1(C)c1ccccc1)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C28H26N4O3/c1-20(21-13-15-24(16-14-21)35-23-11-7-4-8-12-23)30-26-29-18-17-25(31-26)32-27(33)34-19-28(32,2)22-9-5-3-6-10-22/h3-18,20H,19H2,1-2H3,(H,29,30,31)/t20-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	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))	BDBM146127 (US8957068, 162) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)n1 |r| Show InChI InChI=1S/C24H26N4O3/c1-16(2)21-15-30-24(29)28(21)22-13-14-25-23(27-22)26-17(3)18-9-11-20(12-10-18)31-19-7-5-4-6-8-19/h4-14,16-17,21H,15H2,1-3H3,(H,25,26,27)/t17-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31.5	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))	BDBM146200 (US8957068, 252) Show SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H24N4O3/c1-16(17-9-11-19(12-10-17)30-18-7-5-4-6-8-18)25-21-24-14-13-20(26-21)27-22(28)29-15-23(27,2)3/h4-14,16H,15H2,1-3H3,(H,24,25,26)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	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))	BDBM146385 (US8957068, 513) Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClFN6O3/c1-10(16-25-15(26-30-16)11-4-6-12(20)7-5-11)22-17-23-13(21)8-14(24-17)27-18(28)29-9-19(27,2)3/h4-8,10H,9H2,1-3H3,(H,22,23,24)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.6	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))	BDBM146175 (US8957068, 227) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN4CCCC4C3)c(F)c2)n1 |r| Show InChI InChI=1S/C26H35FN6O2/c1-17(2)23-16-35-26(34)33(23)24-8-9-28-25(30-24)29-18(3)19-6-7-20(22(27)13-19)14-31-11-12-32-10-4-5-21(32)15-31/h6-9,13,17-18,21,23H,4-5,10-12,14-16H2,1-3H3,(H,28,29,30)/t18-,21?,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.9	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))	BDBM146129 (US8957068, 164) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)C(C)(C)C)n1 |r| Show InChI InChI=1S/C22H30N4O2/c1-14(2)18-13-28-21(27)26(18)19-11-12-23-20(25-19)24-15(3)16-7-9-17(10-8-16)22(4,5)6/h7-12,14-15,18H,13H2,1-6H3,(H,23,24,25)/t15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.9	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	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))	BDBM146470 (US8957068, 602) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCC(F)CC3)c(F)c2)n1 |r| Show InChI InChI=1S/C24H29F2N5O3/c1-14(2)20-13-34-24(33)31(20)21-6-9-27-23(29-21)28-15(3)16-4-5-18(19(26)12-16)22(32)30-10-7-17(25)8-11-30/h4-6,9,12,14-15,17,20H,7-8,10-11,13H2,1-3H3,(H,27,28,29)/t15-,20+/m0/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	7.5	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

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