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BDBM50090491 (R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-6-one O-benzyl-oxime::CHEMBL46773

SMILES: Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCc1ccccc1

InChI Key: InChIKey=DFQUNPJCRZACIT-DCDOZRBTSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50090491   
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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50090491
PNG
((R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
Show InChI InChI=1S/C20H21ClN2O/c21-17-8-6-16(7-9-17)18-10-11-23-12-19(18)20(13-23)22-24-14-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2/b22-20+/t18-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
117n/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))
BDBM50090491
PNG
((R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
Show InChI InChI=1S/C20H21ClN2O/c21-17-8-6-16(7-9-17)18-10-11-23-12-19(18)20(13-23)22-24-14-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2/b22-20+/t18-,19?/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.00E+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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50090491
PNG
((R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
Show InChI InChI=1S/C20H21ClN2O/c21-17-8-6-16(7-9-17)18-10-11-23-12-19(18)20(13-23)22-24-14-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2/b22-20+/t18-,19?/m0/s1
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PubMed
1.55E+3n/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 dopamine transporter


(Rattus norvegicus (rat))
BDBM50090491
PNG
((R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-...)
Show SMILES Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
Show InChI InChI=1S/C20H21ClN2O/c21-17-8-6-16(7-9-17)18-10-11-23-12-19(18)20(13-23)22-24-14-15-4-2-1-3-5-15/h1-9,18-19H,10-14H2/b22-20+/t18-,19?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.86E+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