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SMILES: FC(CCn1cc(nn1)C(=O)NCc1ccc(nc1)C(F)(F)F)Cn1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1

InChI Key: InChIKey=UPHSQIVKYHXYHS-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 405067   
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))
BDBM405067
PNG
(1-[3-fluoro-4-(4-{2-[3- (trifluoromethoxy)phenyl]a...)
Show SMILES FC(CCn1cc(nn1)C(=O)NCc1ccc(nc1)C(F)(F)F)Cn1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1
Show InChI InChI=1S/C25H22F7N9O3/c26-17(6-7-40-13-19(36-38-40)23(43)34-11-16-4-5-20(33-10-16)24(27,28)29)12-41-14-21(37-39-41)35-22(42)9-15-2-1-3-18(8-15)44-25(30,31)32/h1-5,8,10,13-14,17H,6-7,9,11-12H2,(H,34,43)(H,35,42)
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))
BDBM405067
PNG
(1-[3-fluoro-4-(4-{2-[3- (trifluoromethoxy)phenyl]a...)
Show SMILES FC(CCn1cc(nn1)C(=O)NCc1ccc(nc1)C(F)(F)F)Cn1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1
Show InChI InChI=1S/C25H22F7N9O3/c26-17(6-7-40-13-19(36-38-40)23(43)34-11-16-4-5-20(33-10-16)24(27,28)29)12-41-14-21(37-39-41)35-22(42)9-15-2-1-3-18(8-15)44-25(30,31)32/h1-5,8,10,13-14,17H,6-7,9,11-12H2,(H,34,43)(H,35,42)
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