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BDBM50265359 (R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol::CHEMBL495520

SMILES: O[C@@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1

InChI Key: InChIKey=RJGAPHDYUGIZDB-DKKPLQGMNA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50265359   
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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50265359
PNG
((R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piper...)
Show SMILES O[C@@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)16-4-15-31-17-19-32(20-18-31)22-28(34)21-23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2/t28-/s2
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PC sid
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Article
PubMed
5.36n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in rat striatum membrane


Bioorg Med Chem Lett 18: 5238-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.065
BindingDB Entry DOI: 10.7270/Q2DB82SZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50265359
PNG
((R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piper...)
Show SMILES O[C@@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)16-4-15-31-17-19-32(20-18-31)22-28(34)21-23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2/t28-/s2
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CHEMBL
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UniChem

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Article
PubMed
33.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane


Bioorg Med Chem Lett 18: 5238-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.065
BindingDB Entry DOI: 10.7270/Q2DB82SZ
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50265359
PNG
((R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piper...)
Show SMILES O[C@@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)16-4-15-31-17-19-32(20-18-31)22-28(34)21-23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2/t28-/s2
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
521n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in rat brain stem membrane


Bioorg Med Chem Lett 18: 5238-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.065
BindingDB Entry DOI: 10.7270/Q2DB82SZ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50265359
PNG
((R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piper...)
Show SMILES O[C@@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
Show InChI InChI=1/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)16-4-15-31-17-19-32(20-18-31)22-28(34)21-23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2/t28-/s2
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Article
PubMed
2.11E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat frontal cortex membrane


Bioorg Med Chem Lett 18: 5238-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.065
BindingDB Entry DOI: 10.7270/Q2DB82SZ
More data for this
Ligand-Target Pair