Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM247594'   

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))	BDBM247594 (US10112931, Example 187 | US9434719, 187 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H21ClFN5O4/c1-10-17(13-4-6-14(22)7-5-13)32-19(25-10)11(2)26-20-24-8-15(23)18(27-20)28-16(12(3)29)9-31-21(28)30/h4-8,11-12,16,29H,9H2,1-3H3,(H,24,26,27)/t11?,12-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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))	BDBM247594 (US10112931, Example 187 | US9434719, 187 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H21ClFN5O4/c1-10-17(13-4-6-14(22)7-5-13)32-19(25-10)11(2)26-20-24-8-15(23)18(27-20)28-16(12(3)29)9-31-21(28)30/h4-8,11-12,16,29H,9H2,1-3H3,(H,24,26,27)/t11?,12-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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))	BDBM247594 (US10112931, Example 187 | US9434719, 187 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H21ClFN5O4/c1-10-17(13-4-6-14(22)7-5-13)32-19(25-10)11(2)26-20-24-8-15(23)18(27-20)28-16(12(3)29)9-31-21(28)30/h4-8,11-12,16,29H,9H2,1-3H3,(H,24,26,27)/t11?,12-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM247594 (US10112931, Example 187 | US9434719, 187 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H21ClFN5O4/c1-10-17(13-4-6-14(22)7-5-13)32-19(25-10)11(2)26-20-24-8-15(23)18(27-20)28-16(12(3)29)9-31-21(28)30/h4-8,11-12,16,29H,9H2,1-3H3,(H,24,26,27)/t11?,12-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.32E+3	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))	BDBM247594 (US10112931, Example 187 | US9434719, 187 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H21ClFN5O4/c1-10-17(13-4-6-14(22)7-5-13)32-19(25-10)11(2)26-20-24-8-15(23)18(27-20)28-16(12(3)29)9-31-21(28)30/h4-8,11-12,16,29H,9H2,1-3H3,(H,24,26,27)/t11?,12-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.45E+3	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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM247594 (US10112931, Example 187 | US9434719, 187 | US96886...) Show SMILES C[C@@H](O)[C@H]1COC(=O)N1c1nc(NC(C)c2nc(C)c(o2)-c2ccc(Cl)cc2)ncc1F |r,w:13.14| Show InChI InChI=1S/C21H21ClFN5O4/c1-10-17(13-4-6-14(22)7-5-13)32-19(25-10)11(2)26-20-24-8-15(23)18(27-20)28-16(12(3)29)9-31-21(28)30/h4-8,11-12,16,29H,9H2,1-3H3,(H,24,26,27)/t11?,12-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.58E+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 US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT
					More data for this Ligand-Target Pair