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BDBM50160898 3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL179498

SMILES: COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2

InChI Key: InChIKey=BFMOQGLGYMZXPC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50160898   
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; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160898
PNG
(3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3
PDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50160898
PNG
(3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50160898
PNG
(3-(4-Thiophen-3-yl-phenyl)-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C19H21NO2S/c1-22-19(21)18-16(10-15-6-7-17(18)20-15)13-4-2-12(3-5-13)14-8-9-23-11-14/h2-5,8-9,11,15-18,20H,6-7,10H2,1H3
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
39n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from norepinephrine transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair