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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50302925   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
PDB
MMDB

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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ effl...


J Med Chem 53: 2204-14 (2010)


Article DOI: 10.1021/jm9017465
BindingDB Entry DOI: 10.7270/Q2FN1693
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cells


J Med Chem 53: 2204-14 (2010)


Article DOI: 10.1021/jm9017465
BindingDB Entry DOI: 10.7270/Q2FN1693
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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Article
PubMed
n/an/a 1.46E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
NCI pathway
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KEGG

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PC sid
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Article
PubMed
n/an/a 2.32E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells


J Med Chem 53: 2204-14 (2010)


Article DOI: 10.1021/jm9017465
BindingDB Entry DOI: 10.7270/Q2FN1693
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
PDB

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Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells


J Med Chem 53: 2204-14 (2010)


Article DOI: 10.1021/jm9017465
BindingDB Entry DOI: 10.7270/Q2FN1693
More data for this
Ligand-Target Pair