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SMILES: Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC=C)c1ccc(F)cc1

InChI Key: InChIKey=RQAXYGUBABXSAE-WIOQJERESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50359598   
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50359598
PNG
(CHEMBL1927873)
Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC=C)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Show InChI InChI=1S/C25H27F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h2-10,13,23-25H,1,11-12,14-17H2/b18-13-/t23-,24+/m0/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting


Bioorg Med Chem 19: 7551-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.028
BindingDB Entry DOI: 10.7270/Q2XP75CJ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50359598
PNG
(CHEMBL1927873)
Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC=C)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Show InChI InChI=1S/C25H27F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h2-10,13,23-25H,1,11-12,14-17H2/b18-13-/t23-,24+/m0/s1
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UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
3.12E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain cortex membranes after 1 hr


Bioorg Med Chem 19: 7551-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.028
BindingDB Entry DOI: 10.7270/Q2XP75CJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50359598
PNG
(CHEMBL1927873)
Show SMILES Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC=C)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Show InChI InChI=1S/C25H27F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h2-10,13,23-25H,1,11-12,14-17H2/b18-13-/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.46E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem 19: 7551-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.028
BindingDB Entry DOI: 10.7270/Q2XP75CJ
More data for this
Ligand-Target Pair