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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50016256   
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))
BDBM109086
PNG
(US10793535, Cmpd ID 727 | US8604016, 670 | US99382...)
Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1
Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 310n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase liver isoform, mitochondrial


(Homo sapiens)
BDBM50593582
PNG
(CHEMBL5179292)
Show SMILES Br.Fc1ccc2n(CCCCN3CCOCC3)cc(-c3nc(cs3)-c3c[nH]c4ncccc34)c2c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.29E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50593582
PNG
(CHEMBL5179292)
Show SMILES Br.Fc1ccc2n(CCCCN3CCOCC3)cc(-c3nc(cs3)-c3c[nH]c4ncccc34)c2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.96E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114233
BindingDB Entry DOI: 10.7270/Q2RJ4PG1
More data for this
Ligand-Target Pair