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BDBM108804 US8604016, 384

SMILES: CCOC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1

InChI Key: InChIKey=LMFZBCFZUPGXRB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 108804   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108804
PNG
(US8604016, 384)
Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C30H33N7O4S/c1-2-41-30(40)31-20-23-12-8-11-22(17-23)19-26(38)32-25-16-15-24(34-35-25)13-6-7-14-28-36-37-29(42-28)33-27(39)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,40)(H,32,35,38)(H,33,37,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 81n/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
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108804
PNG
(US8604016, 384)
Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
Show InChI InChI=1S/C30H33N7O4S/c1-2-41-30(40)31-20-23-12-8-11-22(17-23)19-26(38)32-25-16-15-24(34-35-25)13-6-7-14-28-36-37-29(42-28)33-27(39)18-21-9-4-3-5-10-21/h3-5,8-12,15-17H,2,6-7,13-14,18-20H2,1H3,(H,31,40)(H,32,35,38)(H,33,37,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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