BDBM50503273 CHEMBL4571722::US10696665, Example 13

SMILES [H][C@@]1(COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C(=O)C=C)cc2)n1)[C@@H](C)O

InChI Key InChIKey=NZIKKCSMHNBNPK-UHFFFAOYSA-N

Data  4 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 = 50503273   

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

Curated by ChEMBL
LigandPNGBDBM50503273(US10696665, Example 13 | CHEMBL4571722)
Affinity DataIC50: 100nMAssay 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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503273(US10696665, Example 13 | CHEMBL4571722)
Affinity DataIC50: 100nMAssay 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
LigandPNGBDBM50503273(US10696665, Example 13 | CHEMBL4571722)
Affinity DataIC50: 272nMAssay 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
LigandPNGBDBM50503273(US10696665, Example 13 | CHEMBL4571722)
Affinity DataIC50: 272nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM50503273(US10696665, Example 13 | CHEMBL4571722)
Affinity DataIC50: 428nMAssay 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
LigandPNGBDBM50503273(US10696665, Example 13 | CHEMBL4571722)
Affinity DataIC50: 428nMAssay Description:Inhibition of human recombinant IDH1 R132H mutant expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed