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BDBM86697 4-TrifluoromethylBZT::8-Methyl-3-[phenyl-(4-trifluoromethyl-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]octane::CHEMBL332772

SMILES: CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KFYINOIVXGBXKZ-UHFFFAOYSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 86697   
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))
BDBM86697
PNG
(4-TrifluoromethylBZT | 8-Methyl-3-[phenyl-(4-trifl...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F |THB:9:7:1:3.4|
Show InChI InChI=1S/C22H24F3NO/c1-26-18-11-12-19(26)14-20(13-18)27-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,18-21H,11-14H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
541n/an/an/an/an/an/an/an/a



Duquesne University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 575-83 (2005)


Article DOI: 10.1124/jpet.105.085829
BindingDB Entry DOI: 10.7270/Q27M06H6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86697
PNG
(4-TrifluoromethylBZT | 8-Methyl-3-[phenyl-(4-trifl...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F |THB:9:7:1:3.4|
Show InChI InChI=1S/C22H24F3NO/c1-26-18-11-12-19(26)14-20(13-18)27-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,18-21H,11-14H2,1H3
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CHEMBL
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PC sid
UniChem

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Article
PubMed
635n/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 binding to the dopamine transporter in rat caudate putamen tissue.


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86697
PNG
(4-TrifluoromethylBZT | 8-Methyl-3-[phenyl-(4-trifl...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F |THB:9:7:1:3.4|
Show InChI InChI=1S/C22H24F3NO/c1-26-18-11-12-19(26)14-20(13-18)27-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,18-21H,11-14H2,1H3
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Article
PubMed
1.28E+3n/an/an/an/an/an/an/an/a



Duquesne University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 575-83 (2005)


Article DOI: 10.1124/jpet.105.085829
BindingDB Entry DOI: 10.7270/Q27M06H6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86697
PNG
(4-TrifluoromethylBZT | 8-Methyl-3-[phenyl-(4-trifl...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F |THB:9:7:1:3.4|
Show InChI InChI=1S/C22H24F3NO/c1-26-18-11-12-19(26)14-20(13-18)27-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,18-21H,11-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.16E+3n/an/an/an/an/an/a



National Institute on Drug Abuse - Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake in rat caudate putamen tissue.


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair