Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146330'   

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))	BDBM146330 (US8957068, 450 | US8957068, 451) Show SMILES CC(Nc1ncc(F)c(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(Oc2ccc(F)cc2)cn1 |r,w:1.0| Show InChI InChI=1S/C28H25F2N5O3/c1-17(23-14-13-21(15-31-23)37-20-11-9-19(29)10-12-20)33-26-32-16-22(30)25(34-26)35-24(18-7-5-4-6-8-18)28(2,3)38-27(35)36/h4-17,24H,1-3H3,(H,32,33,34)/t17?,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	51.8	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))	BDBM146330 (US8957068, 450 | US8957068, 451) Show SMILES CC(Nc1ncc(F)c(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(Oc2ccc(F)cc2)cn1 |r,w:1.0| Show InChI InChI=1S/C28H25F2N5O3/c1-17(23-14-13-21(15-31-23)37-20-11-9-19(29)10-12-20)33-26-32-16-22(30)25(34-26)35-24(18-7-5-4-6-8-18)28(2,3)38-27(35)36/h4-17,24H,1-3H3,(H,32,33,34)/t17?,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	62	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))	BDBM146330 (US8957068, 450 | US8957068, 451) Show SMILES CC(Nc1ncc(F)c(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(Oc2ccc(F)cc2)cn1 |r,w:1.0| Show InChI InChI=1S/C28H25F2N5O3/c1-17(23-14-13-21(15-31-23)37-20-11-9-19(29)10-12-20)33-26-32-16-22(30)25(34-26)35-24(18-7-5-4-6-8-18)28(2,3)38-27(35)36/h4-17,24H,1-3H3,(H,32,33,34)/t17?,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	207	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))	BDBM146330 (US8957068, 450 | US8957068, 451) Show SMILES CC(Nc1ncc(F)c(n1)N1[C@H](c2ccccc2)C(C)(C)OC1=O)c1ccc(Oc2ccc(F)cc2)cn1 |r,w:1.0| Show InChI InChI=1S/C28H25F2N5O3/c1-17(23-14-13-21(15-31-23)37-20-11-9-19(29)10-12-20)33-26-32-16-22(30)25(34-26)35-24(18-7-5-4-6-8-18)28(2,3)38-27(35)36/h4-17,24H,1-3H3,(H,32,33,34)/t17?,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	386	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