BDBM50503271 CHEMBL4550083::US10696665, Example 4

SMILES C[C@H](Nc1nccc(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1

InChI Key InChIKey=QQORLBOQQSPJOA-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50503271   

LigandPNGBDBM50503271(US10696665, Example 4 | CHEMBL4550083)
Affinity DataIC50: 96.8nMAssay 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
LigandPNGBDBM50503271(US10696665, Example 4 | CHEMBL4550083)
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
LigandPNGBDBM50503271(US10696665, Example 4 | CHEMBL4550083)
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
LigandPNGBDBM50503271(US10696665, Example 4 | CHEMBL4550083)
Affinity DataIC50: 141nMAssay 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
LigandPNGBDBM50503271(US10696665, Example 4 | CHEMBL4550083)
Affinity DataIC50: 6.76E+3nMAssay Description:Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details
US Patent