null

SMILES C[C@@H](Nc1nc(NC2CC3(C2)CC(F)(F)C3)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1

InChI Key InChIKey=RMLKOVRFURMNDJ-LLVKDONJSA-N

  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 6 hits for monomerid = 279911   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279911(US10028961, Compound 58 | US10172864, Compound 58 ...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZW1NXMUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279911(US10028961, Compound 58 | US10172864, Compound 58 ...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZW1NXMUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279911(US10028961, Compound 58 | US10172864, Compound 58 ...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S46W3HUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279911(US10028961, Compound 58 | US10172864, Compound 58 ...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZK5JQ3US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279911(US10028961, Compound 58 | US10172864, Compound 58 ...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2S46W3HUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Agios Pharmaceuticals, Inc.

US Patent
LigandPNGBDBM279911(US10028961, Compound 58 | US10172864, Compound 58 ...)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZK5JQ3US Patent