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BDBM50175153 8-allyl-N-(bis(4-fluorophenyl)methyl)-8-aza-bicyclo[3.2.1]octan-3-amine::CHEMBL371422

SMILES: Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1

InChI Key: InChIKey=YLOMMHJWKYDOFW-UHFFFAOYSA-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 = 50175153   
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))
BDBM50175153
PNG
(8-allyl-N-(bis(4-fluorophenyl)methyl)-8-aza-bicycl...)
Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C23H26F2N2/c1-2-13-27-21-11-12-22(27)15-20(14-21)26-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23,26H,1,11-15H2
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PC sid
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Article
PubMed
26.8n/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-from DAT in rat brain membrane


Bioorg Med Chem Lett 15: 5419-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.111
BindingDB Entry DOI: 10.7270/Q2KP82XR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50175153
PNG
(8-allyl-N-(bis(4-fluorophenyl)methyl)-8-aza-bicycl...)
Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C23H26F2N2/c1-2-13-27-21-11-12-22(27)15-20(14-21)26-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23,26H,1,11-15H2
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Article
PubMed
130n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from Muscarinic receptor M1


Bioorg Med Chem Lett 15: 5419-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.111
BindingDB Entry DOI: 10.7270/Q2KP82XR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50175153
PNG
(8-allyl-N-(bis(4-fluorophenyl)methyl)-8-aza-bicycl...)
Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C23H26F2N2/c1-2-13-27-21-11-12-22(27)15-20(14-21)26-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23,26H,1,11-15H2
PDB

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Article
PubMed
3.92E+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]citalopram from SERT


Bioorg Med Chem Lett 15: 5419-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.111
BindingDB Entry DOI: 10.7270/Q2KP82XR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50175153
PNG
(8-allyl-N-(bis(4-fluorophenyl)methyl)-8-aza-bicycl...)
Show SMILES Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C23H26F2N2/c1-2-13-27-21-11-12-22(27)15-20(14-21)26-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23,26H,1,11-15H2
Reactome pathway
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Article
PubMed
5.58E+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


Bioorg Med Chem Lett 15: 5419-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.111
BindingDB Entry DOI: 10.7270/Q2KP82XR
More data for this
Ligand-Target Pair