BDBM50503243 CHEMBL4560565::US11111240, Example 12

SMILES Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCS(=O)(=O)N1c1cc(ccn1)C#N

InChI Key InChIKey=LJHJHBULGHFPID-UHFFFAOYSA-N

Data  4 IC50

  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 = 50503243   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Chai Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM50503243(CHEMBL4560565 | US11111240, Example 12)
Affinity DataIC50: 20nMAssay Description:The specific operation was as follows: 2.5 μl of the compound diluted in a 3-fold gradient was added to a 384-well plate, followed by adding 5 &...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2022
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Chai Tai Tianqing Pharmaceutical Group

US Patent
LigandPNGBDBM50503243(CHEMBL4560565 | US11111240, Example 12)
Affinity DataIC50: 20nMAssay Description:The specific operation was as follows: 2.5 μl of the compound diluted in a 3-fold gradient was added to a 384-well plate, followed by adding 5 &...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2022
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM50503243(CHEMBL4560565 | US11111240, Example 12)
Affinity DataIC50: 20nMAssay Description:Inhibition of IDH1 RI32H mutant in human HT1080 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by resazurin fluorescence based...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
LigandPNGBDBM50503243(CHEMBL4560565 | US11111240, Example 12)
Affinity DataIC50: 20nMAssay Description:Inhibition of IDH1 RI32C mutant in human U87 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by resazurin fluorescence based as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed