Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146265'   

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))	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))	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	66.6	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))	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	1.21E+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