BDBM279881 US10028961, Compound 28::US10172864, Compound 28::US10946023, Compound 28

SMILES C[C@@H](Nc1nc(NC(C)c2cccc(F)c2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1

InChI Key InChIKey=JYVZJECTMOHVFX-UHFFFAOYSA-N

Data  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 279881   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 50nMpH: 6.5 T: 2°CAssay Description:In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 75nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 75nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2018
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 50nMAssay Description:In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 75nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 75nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2019
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 50nMAssay Description:In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 75nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Agios Pharmaceuticals

US Patent
LigandPNGBDBM279881(US10028961, Compound 28 | US10172864, Compound 28 ...)
Affinity DataIC50: 75nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2021
Entry Details
Go to US Patent