BDBM50503281 CHEMBL4586919::US10696665, Example 25

SMILES CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1nc(N)cc(n1)N1C(=O)OCC1(C)C

InChI Key InChIKey=IRYXPSUOUWFUGU-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50503281   

LigandPNGBDBM50503281(US10696665, Example 25 | CHEMBL4586919)
Affinity DataIC50: 8.89nMAssay Description:IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM50503281(US10696665, Example 25 | CHEMBL4586919)
Affinity DataIC50: 8.90nMAssay Description:Inhibition of N-terminal His-tagged IDH1 RI32C mutant (unknown origin) expressed in Escherichia coli using alpha-KG and NADPH substrate assessed as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503281(US10696665, Example 25 | CHEMBL4586919)
Affinity DataIC50: 11nMAssay Description:Inhibition of N-terminal His-tagged IDH1 RI32H mutant (unknown origin) expressed in Escherichia coli using alpha-KG and NADPH substrate assessed as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50503281(US10696665, Example 25 | CHEMBL4586919)
Affinity DataIC50: 11nMAssay Description:IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details
US Patent

LigandPNGBDBM50503281(US10696665, Example 25 | CHEMBL4586919)
Affinity DataIC50: 18nMAssay Description:IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details
US Patent

LigandPNGBDBM50503281(US10696665, Example 25 | CHEMBL4586919)
Affinity DataIC50: 38.5nMAssay Description:IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using ni...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details
US Patent