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BDBM50096191 8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo[3.2.1]octane; hydrochloride::CHEMBL544177

SMILES: Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=BRCNZPLXMLLSIC-UHFFFAOYNA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50096191   
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))
BDBM50096191
PNG
(8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1
Show InChI InChI=1/C27H28ClNO/c28-23-13-11-22(12-14-23)27(21-9-5-2-6-10-21)30-26-17-24-15-16-25(18-26)29(24)19-20-7-3-1-4-8-20/h1-14,24-27H,15-19H2
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Article
PubMed
365n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand


J Med Chem 44: 633-40 (2001)


Article DOI: 10.1021/jm000417f
BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50096191
PNG
(8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1
Show InChI InChI=1/C27H28ClNO/c28-23-13-11-22(12-14-23)27(21-9-5-2-6-10-21)30-26-17-24-15-16-25(18-26)29(24)19-20-7-3-1-4-8-20/h1-14,24-27H,15-19H2
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PubMed
2.56E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.


J Med Chem 44: 633-40 (2001)


Article DOI: 10.1021/jm000417f
BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50096191
PNG
(8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1
Show InChI InChI=1/C27H28ClNO/c28-23-13-11-22(12-14-23)27(21-9-5-2-6-10-21)30-26-17-24-15-16-25(18-26)29(24)19-20-7-3-1-4-8-20/h1-14,24-27H,15-19H2
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PubMed
3.53E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.


J Med Chem 44: 633-40 (2001)


Article DOI: 10.1021/jm000417f
BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50096191
PNG
(8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1
Show InChI InChI=1/C27H28ClNO/c28-23-13-11-22(12-14-23)27(21-9-5-2-6-10-21)30-26-17-24-15-16-25(18-26)29(24)19-20-7-3-1-4-8-20/h1-14,24-27H,15-19H2
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PubMed
1.30E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand


J Med Chem 44: 633-40 (2001)


Article DOI: 10.1021/jm000417f
BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair