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Patent code US9289400

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM218671
PNG
(US9289400, ES609)
Show SMILES CC(N)CCc1ccccc1Cl
Show InChI InChI=1S/C10H14ClN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 293n/an/an/an/an/an/a



Drexel University; Rutgers, The State University of New Jersey

US Patent


Assay Description
Functional efficacy was determined by assessing the ability of PBZI and ES609 to inhibit monoamine transporter uptake activity.


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM218672
PNG
(US9289400, PBZI)
Show SMILES CCCN1CCC2C1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO/c1-2-8-16-9-7-13-14-10-12(17)5-3-11(14)4-6-15(13)16/h3,5,10,13,15,17H,2,4,6-9H2,1H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 860n/an/an/an/an/an/a



Drexel University; Rutgers, The State University of New Jersey

US Patent


Assay Description
Functional efficacy was determined by assessing the ability of PBZI and ES609 to inhibit monoamine transporter uptake activity.


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM218672
PNG
(US9289400, PBZI)
Show SMILES CCCN1CCC2C1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO/c1-2-8-16-9-7-13-14-10-12(17)5-3-11(14)4-6-15(13)16/h3,5,10,13,15,17H,2,4,6-9H2,1H3
NCI pathway
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.61E+3n/an/an/an/an/an/a



Drexel University; Rutgers, The State University of New Jersey

US Patent


Assay Description
Functional efficacy was determined by assessing the ability of PBZI and ES609 to inhibit monoamine transporter uptake activity.


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM218671
PNG
(US9289400, ES609)
Show SMILES CC(N)CCc1ccccc1Cl
Show InChI InChI=1S/C10H14ClN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3
NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.52E+3n/an/an/an/an/an/a



Drexel University; Rutgers, The State University of New Jersey

US Patent


Assay Description
Functional efficacy was determined by assessing the ability of PBZI and ES609 to inhibit monoamine transporter uptake activity.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM218672
PNG
(US9289400, PBZI)
Show SMILES CCCN1CCC2C1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO/c1-2-8-16-9-7-13-14-10-12(17)5-3-11(14)4-6-15(13)16/h3,5,10,13,15,17H,2,4,6-9H2,1H3
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.38E+4n/an/an/an/an/an/a



Drexel University; Rutgers, The State University of New Jersey

US Patent


Assay Description
Functional efficacy was determined by assessing the ability of PBZI and ES609 to inhibit monoamine transporter uptake activity.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM218671
PNG
(US9289400, ES609)
Show SMILES CC(N)CCc1ccccc1Cl
Show InChI InChI=1S/C10H14ClN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,6-7,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 3.59E+4n/an/an/an/an/an/a



Drexel University; Rutgers, The State University of New Jersey

US Patent


Assay Description
Functional efficacy was determined by assessing the ability of PBZI and ES609 to inhibit monoamine transporter uptake activity.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%