Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM247636'   

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))	BDBM247636 (US10112931, Example 238 | US9434719, 238 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C21H23ClN6O3/c1-12-8-19(28-18(14(3)29)10-31-21(28)30)26-20(24-12)25-13(2)17-9-27(11-23-17)16-6-4-15(22)5-7-16/h4-9,11,13-14,18,29H,10H2,1-3H3,(H,24,25,26)/t13-,14+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM247636 (US10112931, Example 238 | US9434719, 238 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C21H23ClN6O3/c1-12-8-19(28-18(14(3)29)10-31-21(28)30)26-20(24-12)25-13(2)17-9-27(11-23-17)16-6-4-15(22)5-7-16/h4-9,11,13-14,18,29H,10H2,1-3H3,(H,24,25,26)/t13-,14+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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))	BDBM247636 (US10112931, Example 238 | US9434719, 238 as TFA sa...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C21H23ClN6O3/c1-12-8-19(28-18(14(3)29)10-31-21(28)30)26-20(24-12)25-13(2)17-9-27(11-23-17)16-6-4-15(22)5-7-16/h4-9,11,13-14,18,29H,10H2,1-3H3,(H,24,25,26)/t13-,14+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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 pho...				US Patent US9688672 (2017) BindingDB Entry DOI: 10.7270/Q2251GBM
					More data for this Ligand-Target Pair