BDBM50150109 CHEMBL3770355

SMILES c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5

InChI Key InChIKey=XKAUHJUBYCZSGD-UHFFFAOYSA-N

Data  3 IC50

PDB links: 2 PDB IDs match this monomer.

  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 3 hits for monomerid = 50150109   

TargetGlutaminase kidney isoform, mitochondrial(Human)
University of Pittsburgh

Curated by ChEMBL
LigandPNGBDBM50150109(CHEMBL3770355)
Affinity DataIC50: 30nMAssay Description:Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGlutaminase kidney isoform, mitochondrial(Human)
University of Pittsburgh

Curated by ChEMBL
LigandPNGBDBM50150109(CHEMBL3770355)
Affinity DataIC50: 14nMAssay Description:Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGlutaminase liver isoform, mitochondrial(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50150109(CHEMBL3770355)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of GLS2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed