Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146274'   

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))	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))	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))	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	3.10E+3	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	4.40E+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