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BDBM50174850 3-(9H-fluoren-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-ene::3-(9H-fluoren-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene::CHEMBL381045

SMILES: CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1

InChI Key: InChIKey=WCMJUQVXFGLIRF-UHFFFAOYSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50174850   
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))
BDBM50174850
PNG
(3-(9H-fluoren-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4|
Show InChI InChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3
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Article
PubMed
n/an/a 14.5n/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))
BDBM50174850
PNG
(3-(9H-fluoren-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4|
Show InChI InChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3
NCI pathway
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Article
PubMed
n/an/a 757n/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))
BDBM50174850
PNG
(3-(9H-fluoren-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4|
Show InChI InChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3
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Article
PubMed
n/an/a 3.36E+3n/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