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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50147844   
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
Transporter


(Rattus norvegicus)
BDBM50147844
PNG
(Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-p...)
Show SMILES CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1
PDB

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UniProtKB/TrEMBL

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Article
PubMed
235n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50147844
PNG
(Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-p...)
Show SMILES CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
599n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50147844
PNG
(Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-p...)
Show SMILES CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
901n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]-5-HT at Serotonin transporter (SERT) using rat midbrain


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair