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PubMed code 31324513

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50512566
PNG
(CHEMBL4444708)
Show SMILES COc1ccc2[se]n(CCCCCCn3[se]c4ccc(OCCCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C31H38N4O5SSe2/c1-39-20-10-12-26-22(17-20)29(36)34(42-26)14-6-2-3-7-15-35-30(37)23-18-21(11-13-27(23)43-35)40-16-8-4-5-9-25-28-24(19-41-25)32-31(38)33-28/h10-13,17-18,24-25,28H,2-9,14-16,19H2,1H3,(H2,32,33,38)/t24-,25-,28-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Allosteric inhibition of human KGA assessed as reduction in glutamate formation using glutamine as substrate pretreated with enzyme for 15 mins follo...


Bioorg Med Chem Lett 29: 2498-2502 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.014
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50512566
PNG
(CHEMBL4444708)
Show SMILES COc1ccc2[se]n(CCCCCCn3[se]c4ccc(OCCCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4c3=O)c(=O)c2c1
Show InChI InChI=1S/C31H38N4O5SSe2/c1-39-20-10-12-26-22(17-20)29(36)34(42-26)14-6-2-3-7-15-35-30(37)23-18-21(11-13-27(23)43-35)40-16-8-4-5-9-25-28-24(19-41-25)32-31(38)33-28/h10-13,17-18,24-25,28H,2-9,14-16,19H2,1H3,(H2,32,33,38)/t24-,25-,28-/m0/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 142n/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to human KGA assessed as dissociation constant


Bioorg Med Chem Lett 29: 2498-2502 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.014
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%