null

SMILES Fc1cncc(c1)N(C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N

InChI Key InChIKey=WIJZXSAJMHAVGX-XADRRFQNSA-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 11 hits for monomerid = 363600   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q24170CSUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q24170CSUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26M39CGPubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q24Q7Z1SUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q24Q7Z1SUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26T0RMX
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2HH6P3BUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2J38WNXUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2J38WNXUS Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26T0RMX
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
AGIOS PHARMACEUTICALS, INC.

US Patent
LigandPNGBDBM363600(US10640534, Compound 91 | US10689414, Compound 91 ...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay 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 DepthDetails
BindingDB Entry DOI: 10.7270/Q2HH6P3BUS Patent