null

SMILES: C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=LBAZIFOJZOIFON-CALCHBBNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 279879   

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))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	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))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				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))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	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
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				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))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	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)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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)
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279879 (US10028961, Compound 26 | US10172864, Compound 26 ...) Show SMILES C[C@@H](Nc1nc(N[C@@H](C)c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N6/c1-16(18-10-5-3-6-11-18)29-23-32-22(20-14-9-15-21(31-20)25(26,27)28)33-24(34-23)30-17(2)19-12-7-4-8-13-19/h3-17H,1-2H3,(H2,29,30,32,33,34)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	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