BindingDB logo
myBDB logout

BDBM108982 US8604016, 564::US9938267, Cmpd ID 564

SMILES: CC(C)(C)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1

InChI Key: InChIKey=AFUZFBOQNBLBBZ-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 = 108982   
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))
BDBM108982
PNG
(US8604016, 564 | US9938267, Cmpd ID 564)
Show SMILES CC(C)(C)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H37N7O3S/c1-32(2,3)30(42)33-21-24-13-9-12-23(18-24)20-28(41)35-31-39-38-29(43-31)15-8-7-14-25-16-17-26(37-36-25)34-27(40)19-22-10-5-4-6-11-22/h4-6,9-13,16-18H,7-8,14-15,19-21H2,1-3H3,(H,33,42)(H,34,37,40)(H,35,39,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/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 US9938267 (2018)

More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM108982
PNG
(US8604016, 564 | US9938267, Cmpd ID 564)
Show SMILES CC(C)(C)C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
Show InChI InChI=1S/C32H37N7O3S/c1-32(2,3)30(42)33-21-24-13-9-12-23(18-24)20-28(41)35-31-39-38-29(43-31)15-8-7-14-25-16-17-26(37-36-25)34-27(40)19-22-10-5-4-6-11-22/h4-6,9-13,16-18H,7-8,14-15,19-21H2,1-3H3,(H,33,42)(H,34,37,40)(H,35,39,41)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/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