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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutaminase kidney isoform, mitochondrial' and Ligand = 'BDBM50238198'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50238198
PNG
(CHEMBL4061000)
Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C37H25N3O5S2/c1-45-30-21-27(16-17-28(30)23-14-12-22(13-15-23)18-31-34(41)38-36(43)46-31)40-29(24-8-4-2-5-9-24)19-26(20-32-35(42)39-37(44)47-32)33(40)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41,43)(H,39,42,44)/b31-18-,32-20-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu...


J Med Chem 60: 5599-5612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50238198
PNG
(CHEMBL4061000)
Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C37H25N3O5S2/c1-45-30-21-27(16-17-28(30)23-14-12-22(13-15-23)18-31-34(41)38-36(43)46-31)40-29(24-8-4-2-5-9-24)19-26(20-32-35(42)39-37(44)47-32)33(40)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41,43)(H,39,42,44)/b31-18-,32-20-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 148n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MCF7 cells derived His-tagged GAC (L123 to S598 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine...


J Med Chem 60: 5599-5612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5
More data for this
Ligand-Target Pair