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SMILES: C(CN1C2CCC1C=C(C2)c1cc2ccccc2[nH]1)Oc1cccc2ncccc12

InChI Key: InChIKey=XXYVBOMSGAYZIX-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50153620   
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))
BDBM50153620
PNG
(5-{2-[3-(1H-Indol-2-yl)-8-aza-bicyclo[3.2.1]oct-2-...)
Show SMILES C(CN1C2CCC1C=C(C2)c1cc2ccccc2[nH]1)Oc1cccc2ncccc12 |c:8|
Show InChI InChI=1S/C26H25N3O/c1-2-7-23-18(5-1)17-25(28-23)19-15-20-10-11-21(16-19)29(20)13-14-30-26-9-3-8-24-22(26)6-4-12-27-24/h1-9,12,15,17,20-21,28H,10-11,13-14,16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin transporter


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50153620
PNG
(5-{2-[3-(1H-Indol-2-yl)-8-aza-bicyclo[3.2.1]oct-2-...)
Show SMILES C(CN1C2CCC1C=C(C2)c1cc2ccccc2[nH]1)Oc1cccc2ncccc12 |c:8|
Show InChI InChI=1S/C26H25N3O/c1-2-7-23-18(5-1)17-25(28-23)19-15-20-10-11-21(16-19)29(20)13-14-30-26-9-3-8-24-22(26)6-4-12-27-24/h1-9,12,15,17,20-21,28H,10-11,13-14,16H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for human 5-hydroxytryptamine 1A receptor expressed in CHO cells was determined using [3H]-8-OH-DPAT radioligand


Bioorg Med Chem Lett 14: 5281-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.030
BindingDB Entry DOI: 10.7270/Q2F76C1B
More data for this
Ligand-Target Pair