new BindingDB logo
myBDB logout

BDBM108990 US8604016, 572

SMILES: CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(CNC(=O)OCC)c4)nn3)s2)c1

InChI Key: InChIKey=HBCZFWFTKGWZJO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 108990   
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))
BDBM108990
PNG
(US8604016, 572)
Show SMILES CCOC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4cccc(CNC(=O)OCC)c4)nn3)s2)c1
Show InChI InChI=1S/C34H40N8O6S/c1-3-47-33(45)35-21-25-11-7-9-23(17-25)19-29(43)37-28-16-15-27(39-40-28)13-5-6-14-31-41-42-32(49-31)38-30(44)20-24-10-8-12-26(18-24)22-36-34(46)48-4-2/h7-12,15-18H,3-6,13-14,19-22H2,1-2H3,(H,35,45)(H,36,46)(H,37,40,43)(H,38,42,44)
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