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BDBM50080448 3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-aza-bicyclo[3.2.1]octane::CHEMBL119013

SMILES: CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1

InChI Key: InChIKey=FMPUWHUXNOPVQS-UHFFFAOYSA-N

Data: 5 KI  1 IC50

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 6 hits for monomerid = 50080448   
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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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0.980n/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)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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21.6n/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)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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Article
PubMed
22n/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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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258n/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)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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UniProtKB/TrEMBL

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451n/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)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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Article
PubMed
n/an/a 228n/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