Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146225'   

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))	BDBM146225 (US8957068, 277) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2ccccn2)n1 |r| Show InChI InChI=1S/C23H25N5O2/c1-15(2)20-14-30-23(29)28(20)21-11-13-25-22(27-21)26-16(3)17-7-9-18(10-8-17)19-6-4-5-12-24-19/h4-13,15-16,20H,14H2,1-3H3,(H,25,26,27)/t16-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	89.9	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))	BDBM146225 (US8957068, 277) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2ccccn2)n1 |r| Show InChI InChI=1S/C23H25N5O2/c1-15(2)20-14-30-23(29)28(20)21-11-13-25-22(27-21)26-16(3)17-7-9-18(10-8-17)19-6-4-5-12-24-19/h4-13,15-16,20H,14H2,1-3H3,(H,25,26,27)/t16-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate after 45 mins by LC-MS analysis				Bioorg Med Chem 25: 6379-6387 (2017) Article DOI: 10.1016/j.bmc.2017.10.009 BindingDB Entry DOI: 10.7270/Q26M39CG
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146225 (US8957068, 277) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cc2)-c2ccccn2)n1 |r| Show InChI InChI=1S/C23H25N5O2/c1-15(2)20-14-30-23(29)28(20)21-11-13-25-22(27-21)26-16(3)17-7-9-18(10-8-17)19-6-4-5-12-24-19/h4-13,15-16,20H,14H2,1-3H3,(H,25,26,27)/t16-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	94	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