BDBM146427 US10696665, Art compound::US8957068, 556

SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(C)=O)cc2)n1

InChI Key InChIKey=BEWLUEOYYPKPQL-UHFFFAOYSA-N

Data  5 IC50  6 Kd

  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 = 146427   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataIC50: 72nMpH: 7.4 T: 2°CAssay Description:Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2015
Entry Details
Go to US Patent

LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataIC50: 51nMAssay Description:IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details
Go to US Patent

LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataIC50: 25.2nMAssay Description:IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataIC50: 341nMAssay Description:Inhibition of recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using DL-isocitrste as substrate assesse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataIC50: 8.20nMAssay Description:Inhibition of recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using 2OG as substrate assessed as 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataKd: >4.00E+5nMAssay Description:Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataKd: >4.00E+5nMAssay Description:Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation const...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataKd:  1.70E+3nMAssay Description:Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataKd:  1.10E+3nMAssay Description:Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation const...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataKd:  1.40E+5nMAssay Description:Binding affinity to human recombinant IDH1 expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by non-denaturing ma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Novartis

US Patent
LigandPNGBDBM146427(US8957068, 556 | US10696665, Art compound)
Affinity DataKd:  1.42E+5nMAssay Description:Binding affinity to human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by non-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed