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BDBM50175646 3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL200748

SMILES: COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C

InChI Key: InChIKey=OXDFFEQFKNRNGA-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175646   
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))
BDBM50175646
PNG
(3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bi...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
Show InChI InChI=1S/C22H23F2NO2/c1-25-18-7-8-20(25)21(22(26)27-2)19(12-18)14-5-3-13(4-6-14)15-9-16(23)11-17(24)10-15/h3-6,9-11,18-21H,7-8,12H2,1-2H3
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.410n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50175646
PNG
(3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bi...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
Show InChI InChI=1S/C22H23F2NO2/c1-25-18-7-8-20(25)21(22(26)27-2)19(12-18)14-5-3-13(4-6-14)15-9-16(23)11-17(24)10-15/h3-6,9-11,18-21H,7-8,12H2,1-2H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
31.7n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50175646
PNG
(3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bi...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
Show InChI InChI=1S/C22H23F2NO2/c1-25-18-7-8-20(25)21(22(26)27-2)19(12-18)14-5-3-13(4-6-14)15-9-16(23)11-17(24)10-15/h3-6,9-11,18-21H,7-8,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
109n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair