Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM279890'   

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))	BDBM279890 (US10028961, Compound 37 | US10028961, Compound 87 ...) Show SMILES C[C@@H](Nc1nc(NC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H20F3N7/c1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279890 (US10028961, Compound 37 | US10028961, Compound 87 ...) Show SMILES C[C@@H](Nc1nc(NC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H20F3N7/c1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279890 (US10028961, Compound 37 | US10028961, Compound 87 ...) Show SMILES C[C@@H](Nc1nc(NC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H20F3N7/c1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279890 (US10028961, Compound 37 | US10028961, Compound 87 ...) Show SMILES C[C@@H](Nc1nc(NC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H20F3N7/c1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279890 (US10028961, Compound 37 | US10028961, Compound 87 ...) Show SMILES C[C@@H](Nc1nc(NC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H20F3N7/c1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279890 (US10028961, Compound 37 | US10028961, Compound 87 ...) Show SMILES C[C@@H](Nc1nc(NC(C)(C)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1 |r| Show InChI InChI=1S/C18H20F3N7/c1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21/h4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair