BDBM50574392 CHEMBL4849357

SMILES c1cc2cc(c1)OCC/C=C/CCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2

InChI Key InChIKey=IFQQSJCIINHYQE-UHFFFAOYSA-N

Data  1 IC50  2 Kd  1 Koff  1 Kon

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50574392   

TargetGlutaminase kidney isoform, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574392(CHEMBL4849357)
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human GLS1 expressed in Escherichia coli strain BL21 (DE3) preincubated for 10 mins before glutamine addition and measured ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGlutaminase kidney isoform, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574392(CHEMBL4849357)
Affinity DataKd:  24nMAssay Description:Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3) assessed as dissociation constant by surface plasmon resonance analysi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGlutaminase kidney isoform, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574392(CHEMBL4849357)
Affinity DataKoff:  2.09E+4s-1Assay Description:Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3) assessed as association rate constant by surface plasmon resonance ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGlutaminase kidney isoform, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574392(CHEMBL4849357)
Affinity DataKon:  0.00300M-1s-1Assay Description:Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3) assessed as dissociation rate constant by surface plasmon resonance an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGlutaminase kidney isoform, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50574392(CHEMBL4849357)
Affinity DataKd:  37nMAssay Description:Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3) by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)