BDBM50378034 CHEMBL504404::NSC-287088::PHYSALIN B

SMILES C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5

InChI Key InChIKey=HVTFEHJSUSPQBK-DNJDGUCCSA-N

Data  4 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 5 hits for monomerid = 50378034   

TargetNF-kappa-B inhibitor alpha(Homo sapiens (Human))
Riken

Curated by ChEMBL
LigandPNGBDBM50378034(CHEMBL504404 | NSC-287088 | PHYSALIN B)
Affinity DataIC50:  3.75E+4nMAssay Description:Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha additio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetZinc finger protein GLI1(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM50378034(CHEMBL504404 | NSC-287088 | PHYSALIN B)
Affinity DataIC50:  620nMAssay Description:Inhibition of Gli1-mediated transcription expressed in human PANC1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50378034(CHEMBL504404 | NSC-287088 | PHYSALIN B)
Affinity DataKd:  4.53E+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 DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50378034(CHEMBL504404 | NSC-287088 | PHYSALIN B)
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 DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50378034(CHEMBL504404 | NSC-287088 | PHYSALIN B)
Affinity DataIC50:  1.26E+3nMAssay 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 DepthDetails ArticlePubMed