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-HAQXVPBOSA-N

Data  3 IC50  1 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 4 hits for monomerid = 50557557   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetZinc finger protein GLI1(Homo sapiens (Human))TBA
LigandPNGBDBM50557557(CHEMBL504910)
Affinity DataIC50:  700nMAssay Description:Inhibition of GLI1 (unknown origin) transcriptional activityMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed