BDBM50625487 CHEMBL4565370

SMILES COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C[C@]3(C)C(N)=O)C(=O)c2ccc[nH]2)cc1C

InChI Key InChIKey=DUCNNEYLFOQFSW-UHFFFAOYSA-N

Data  2 IC50  6 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50625487   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50625487(CHEMBL4565370)
Affinity DataIC50: 1.10E+3nMAssay 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
Ligand InfoSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50625487(CHEMBL4565370)
Affinity DataIC50: 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
Ligand InfoSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50625487(CHEMBL4565370)
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
Ligand InfoSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50625487(CHEMBL4565370)
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
Ligand InfoSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50625487(CHEMBL4565370)
Affinity DataKd:  2.70E+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
Ligand InfoSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50625487(CHEMBL4565370)
Affinity DataKd:  4.10E+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
Ligand InfoSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50625487(CHEMBL4565370)
Affinity DataKd:  2.40E+4nMAssay 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
Ligand InfoSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50625487(CHEMBL4565370)
Affinity DataKd:  2.30E+4nMAssay 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
Ligand InfoSimilars
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed