Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM247955'   

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 [R132H] (Homo sapiens (Human))	BDBM247955 (US10112931, Example 321 | US9434719, 321 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(Cl)c(Cl)cc2F)ncc1Cl |r| Show InChI InChI=1S/C17H16Cl3FN4O3/c1-7(9-3-10(18)11(19)4-13(9)21)23-16-22-5-12(20)15(24-16)25-14(8(2)26)6-28-17(25)27/h3-5,7-8,14,26H,6H2,1-2H3,(H,22,23,24)/t7-,8+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM247955 (US10112931, Example 321 | US9434719, 321 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cc(Cl)c(Cl)cc2F)ncc1Cl |r| Show InChI InChI=1S/C17H16Cl3FN4O3/c1-7(9-3-10(18)11(19)4-13(9)21)23-16-22-5-12(20)15(24-16)25-14(8(2)26)6-28-17(25)27/h3-5,7-8,14,26H,6H2,1-2H3,(H,22,23,24)/t7-,8+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	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 US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair