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SMILES: CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=WDSFOQJWJKBMPM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 279856   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM279856 (US10028961, Compound 3 | US10172864, Compound 3 | ...) Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6/c1-8(2)19-13-22-12(23-14(24-13)20-9(3)4)10-6-5-7-11(21-10)15(16,17)18/h5-9H,1-4H3,(H2,19,20,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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 [R132C] (Homo sapiens (Human))	BDBM279856 (US10028961, Compound 3 | US10172864, Compound 3 | ...) Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6/c1-8(2)19-13-22-12(23-14(24-13)20-9(3)4)10-6-5-7-11(21-10)15(16,17)18/h5-9H,1-4H3,(H2,19,20,22,23,24)	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 [R132C] (Homo sapiens (Human))	BDBM279856 (US10028961, Compound 3 | US10172864, Compound 3 | ...) Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6/c1-8(2)19-13-22-12(23-14(24-13)20-9(3)4)10-6-5-7-11(21-10)15(16,17)18/h5-9H,1-4H3,(H2,19,20,22,23,24)	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 [R132C] (Homo sapiens (Human))	BDBM279856 (US10028961, Compound 3 | US10172864, Compound 3 | ...) Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6/c1-8(2)19-13-22-12(23-14(24-13)20-9(3)4)10-6-5-7-11(21-10)15(16,17)18/h5-9H,1-4H3,(H2,19,20,22,23,24)	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))	BDBM279856 (US10028961, Compound 3 | US10172864, Compound 3 | ...) Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6/c1-8(2)19-13-22-12(23-14(24-13)20-9(3)4)10-6-5-7-11(21-10)15(16,17)18/h5-9H,1-4H3,(H2,19,20,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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))	BDBM279856 (US10028961, Compound 3 | US10172864, Compound 3 | ...) Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6/c1-8(2)19-13-22-12(23-14(24-13)20-9(3)4)10-6-5-7-11(21-10)15(16,17)18/h5-9H,1-4H3,(H2,19,20,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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