BDBM50557557 CHEMBL504910

SMILES [H][C@@]12C[C@]3([H])[C@]([H])(CC[C@]4(O)C(=O)O[C@@]5(C)[C@@]6([H])C[C@@]7(C)[C@]8([H])C(=O)[C@@]3(O[C@]458)OC[C@]7([H])C(=O)O6)[C@@]3(C)C(=O)C=CC[C@@]13O2

InChI Key InChIKey=VSLWNSSUMFSGFF-UHFFFAOYSA-N

Data  3 IC50  1 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 4 hits for monomerid = 50557557   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50557557(CHEMBL504910)
Affinity DataIC50: 630nMAssay Description:Inhibition of C-terminal His6-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE) using alpha-ketoglutarate as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50557557(CHEMBL504910)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of wild-type IDH1 (unknown origin) in presence of sodium(D)-isocitrate and NADP+More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50557557(CHEMBL504910)
Affinity DataKd:  1.53E+4nMAssay Description:Binding affinity to C-terminal His6-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 20 mins by Red-N...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetZinc finger protein GLI1(Human)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50557557(CHEMBL504910)
Affinity DataIC50: 700nMAssay Description:Inhibition of GLI1 (unknown origin) transcriptional activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed