BDBM50522847 CHEMBL4450318

SMILES CCCCN1CCN(CC1)C(c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccn1

InChI Key InChIKey=OLUNQMXVZHIGSL-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50522847   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Huazhong Agricultural University

Curated by ChEMBL
LigandPNGBDBM50522847(CHEMBL4450318)
Affinity DataIC50: 1.27E+4nMAssay Description:Inhibition of N-terminal 6-His-tagged wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 cells using alpha-KG as substrate in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Huazhong Agricultural University

Curated by ChEMBL
LigandPNGBDBM50522847(CHEMBL4450318)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of N-terminal 6-His-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 cells using alpha-KG as substrate in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Huazhong Agricultural University

Curated by ChEMBL
LigandPNGBDBM50522847(CHEMBL4450318)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of N-terminal 6-His-tagged IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 cells using alpha-KG as substrate in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed