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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 = 'BDBM278411'   
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))
BDBM278411
PNG
((2S)-2-Methoxy-N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)p...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C19H19F3N8O3S/c1-32-14(11-3-2-4-13(9-11)33-19(20,21)22)15(31)26-18-29-28-17(34-18)25-12-5-8-30(10-12)16-23-6-7-24-27-16/h2-4,6-7,9,12,14H,5,8,10H2,1H3,(H,25,28)(H,26,29,31)/t12-,14+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30.6n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


Bioorg Med Chem Lett 18: 1577-82 (2008)


BindingDB Entry DOI: 10.7270/Q2MK6G78
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278411
PNG
((2S)-2-Methoxy-N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)p...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C19H19F3N8O3S/c1-32-14(11-3-2-4-13(9-11)33-19(20,21)22)15(31)26-18-29-28-17(34-18)25-12-5-8-30(10-12)16-23-6-7-24-27-16/h2-4,6-7,9,12,14H,5,8,10H2,1H3,(H,25,28)(H,26,29,31)/t12-,14+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30.6n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair