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SMILES: Cc1ccc(CNC(=O)c2cn(CC(F)CCn3cc(nn3)C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)cn1

InChI Key: InChIKey=CWNSLOYUGOTDOA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 405086   
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))
BDBM405086
PNG
(1-{2-fluoro-4-[4-({[3- (trifluoromethoxy)phenyl]me...)
Show SMILES Cc1ccc(CNC(=O)c2cn(CC(F)CCn3cc(nn3)C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)cn1
Show InChI InChI=1S/C25H25F4N9O3/c1-16-5-6-18(11-30-16)12-32-24(40)22-15-38(36-34-22)13-19(26)7-8-37-14-21(33-35-37)23(39)31-10-17-3-2-4-20(9-17)41-25(27,28)29/h2-6,9,11,14-15,19H,7-8,10,12-13H2,1H3,(H,31,39)(H,32,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76GP
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM405086
PNG
(1-{2-fluoro-4-[4-({[3- (trifluoromethoxy)phenyl]me...)
Show SMILES Cc1ccc(CNC(=O)c2cn(CC(F)CCn3cc(nn3)C(=O)NCc3cccc(OC(F)(F)F)c3)nn2)cn1
Show InChI InChI=1S/C25H25F4N9O3/c1-16-5-6-18(11-30-16)12-32-24(40)22-15-38(36-34-22)13-19(26)7-8-37-14-21(33-35-37)23(39)31-10-17-3-2-4-20(9-17)41-25(27,28)29/h2-6,9,11,14-15,19H,7-8,10,12-13H2,1H3,(H,31,39)(H,32,40)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamat...


US Patent US10344025 (2019)


BindingDB Entry DOI: 10.7270/Q2765HQC
More data for this
Ligand-Target Pair