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BDBM50174843 3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-ene::3-(9H-fluoren-9-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene::CHEMBL201223

SMILES: CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12

InChI Key: InChIKey=OAASRUWEEIXAQF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50174843   
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


(Homo sapiens (Human))
BDBM50174843
PNG
(3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12 |c:7,THB:9:7:1:3.4|
Show InChI InChI=1S/C21H21N/c1-22-15-10-11-16(22)13-14(12-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,12,15-16,21H,10-11,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 690n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human SERT


Bioorg Med Chem Lett 15: 5488-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.082
BindingDB Entry DOI: 10.7270/Q20P0ZJ8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50174843
PNG
(3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12 |c:7,THB:9:7:1:3.4|
Show InChI InChI=1S/C21H21N/c1-22-15-10-11-16(22)13-14(12-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,12,15-16,21H,10-11,13H2,1H3
NCI pathway
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.35E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from human DAT


Bioorg Med Chem Lett 15: 5488-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.082
BindingDB Entry DOI: 10.7270/Q20P0ZJ8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50174843
PNG
(3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12 |c:7,THB:9:7:1:3.4|
Show InChI InChI=1S/C21H21N/c1-22-15-10-11-16(22)13-14(12-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,12,15-16,21H,10-11,13H2,1H3
Reactome pathway
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.27E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET


Bioorg Med Chem Lett 15: 5488-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.082
BindingDB Entry DOI: 10.7270/Q20P0ZJ8
More data for this
Ligand-Target Pair