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BDBM50090497 (S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-6-one O-methyl-oxime::CHEMBL47188

SMILES: CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1

InChI Key: InChIKey=UXYPLFVCIANMBF-CMWRLFAESA-N

Data: 8 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50090497   
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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50090497
PNG
((S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O/c1-18-16-14-9-17-7-6-12(13(14)8-17)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3/b16-14+/t12-,13?/m1/s1
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UniProtKB/TrEMBL

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UniChem

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PubMed
305n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]NE binding to norepinephrine transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50090497
PNG
((S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O/c1-18-16-14-9-17-7-6-12(13(14)8-17)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3/b16-14+/t12-,13?/m1/s1
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PC sid
UniChem

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PubMed
503n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT binding to serotonin transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus)
BDBM50090497
PNG
((S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O/c1-18-16-14-9-17-7-6-12(13(14)8-17)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3/b16-14+/t12-,13?/m1/s1
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871n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Mazindol binding to dopamine transporter of rat striatal membrane.


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50090497
PNG
((S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O/c1-18-16-14-9-17-7-6-12(13(14)8-17)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3/b16-14+/t12-,13?/m1/s1
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1.43E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Mazindol binding to dopamine transporter of rat striatal membrane.


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50090497
PNG
((S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O/c1-18-16-14-9-17-7-6-12(13(14)8-17)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3/b16-14+/t12-,13?/m1/s1
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2.52E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50090497
PNG
((S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O/c1-18-16-14-9-17-7-6-12(13(14)8-17)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3/b16-14+/t12-,13?/m1/s1
PDB

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PubMed
2.64E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT binding to serotonin transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50090497
PNG
((S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O/c1-18-16-14-9-17-7-6-12(13(14)8-17)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3/b16-14+/t12-,13?/m1/s1
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UniChem

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PubMed
3.64E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50090497
PNG
((S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O/c1-18-16-14-9-17-7-6-12(13(14)8-17)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3/b16-14+/t12-,13?/m1/s1
Reactome pathway
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UniProtKB/SwissProt

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UniChem

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PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes


Bioorg Med Chem Lett 10: 1681-6 (2000)


BindingDB Entry DOI: 10.7270/Q2MG7Q0C
More data for this
Ligand-Target Pair