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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 = 'BDBM50525797'   
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))
BDBM50525797
PNG
(CHEMBL4524344)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C21H25N7O3S2/c1-13(2)17(30)23-19-24-26-20(32-19)28-10-8-15(9-11-28)31-21-27-25-18(33-21)22-16(29)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,25,29)(H,23,24,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50525797
PNG
(CHEMBL4524344)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C21H25N7O3S2/c1-13(2)17(30)23-19-24-26-20(32-19)28-10-8-15(9-11-28)31-21-27-25-18(33-21)22-16(29)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,25,29)(H,23,24,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126632
BindingDB Entry DOI: 10.7270/Q29W0JX3
More data for this
Ligand-Target Pair