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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 = 'BDBM47230'   
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))
BDBM47230
PNG
(US8604016, 645 | US9938267, Cmpd ID 645)
Show SMILES CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C31H36N6O4S2/c1-2-3-18-43(40,41)22-25-13-9-12-24(19-25)21-28(38)32-27-17-16-26(34-35-27)14-7-8-15-30-36-37-31(42-30)33-29(39)20-23-10-5-4-6-11-23/h4-6,9-13,16-17,19H,2-3,7-8,14-15,18,20-22H2,1H3,(H,32,35,38)(H,33,37,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Amgen



Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2JS9SQV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM47230
PNG
(US8604016, 645 | US9938267, Cmpd ID 645)
Show SMILES CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C31H36N6O4S2/c1-2-3-18-43(40,41)22-25-13-9-12-24(19-25)21-28(38)32-27-17-16-26(34-35-27)14-7-8-15-30-36-37-31(42-30)33-29(39)20-23-10-5-4-6-11-23/h4-6,9-13,16-17,19H,2-3,7-8,14-15,18,20-22H2,1H3,(H,32,35,38)(H,33,37,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair