BDBM50451930 CHEMBL4208002

SMILES CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3

InChI Key InChIKey=PCIJWPBOCDNTJF-UHFFFAOYSA-N

Data  6 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50451930   

LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 11nMAssay Description:Inhibition of N-terminal Strep tagged/TEC fused human IDH1 R132H mutant extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 11nMAssay Description:Inhibition of human N-terminal Strep-tagged IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) using alphaKG as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 11nMAssay Description:Inhibition of N-terminal His-tagged wild type IDH1 R132H mutant (40 to 452 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 13nMAssay Description:Inhibition of human N-terminal TEV cleavage strep tagged IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) using alpha KG as substrate preinc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 259nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 259nMAssay Description:Inhibition of human N-terminal Strep-tagged IDH1 R132C mutant expressed in Escherichia coli BL21(DE3) using alphaKG as substrate preincubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 259nMAssay Description:Inhibition of N-terminal Strep tagged/TEC fused human IDH1 R132C mutant extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 4.50E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 1.00E+4nMAssay 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
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal His-tagged wild type IDH1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha KG as substrate preincubated with compound for 30 mins followed by substrate addition me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
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
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50451930(CHEMBL4208002)
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
PubMedPDB3D3D Structure (crystal)