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BDBM50150083 CHEMBL338482::[2-(5-Fluoro-2-methoxy-phenoxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amine

SMILES: COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12

InChI Key: InChIKey=PDGNKMACWXAEOS-UHFFFAOYSA-N

Data: 2 KI  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 5 hits for monomerid = 50150083   
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))
BDBM50150083
PNG
(CHEMBL338482 | [2-(5-Fluoro-2-methoxy-phenoxy)-eth...)
Show SMILES COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21FN2O2/c1-23-18-7-6-15(20)12-19(18)24-11-10-21-9-8-14-13-22-17-5-3-2-4-16(14)17/h2-7,12-13,21-22H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150083
PNG
(CHEMBL338482 | [2-(5-Fluoro-2-methoxy-phenoxy)-eth...)
Show SMILES COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21FN2O2/c1-23-18-7-6-15(20)12-19(18)24-11-10-21-9-8-14-13-22-17-5-3-2-4-16(14)17/h2-7,12-13,21-22H,8-11H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labeled with [3H]-8-OH-DPAT radioligand


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150083
PNG
(CHEMBL338482 | [2-(5-Fluoro-2-methoxy-phenoxy)-eth...)
Show SMILES COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21FN2O2/c1-23-18-7-6-15(20)12-19(18)24-11-10-21-9-8-14-13-22-17-5-3-2-4-16(14)17/h2-7,12-13,21-22H,8-11H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 208n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150083
PNG
(CHEMBL338482 | [2-(5-Fluoro-2-methoxy-phenoxy)-eth...)
Show SMILES COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21FN2O2/c1-23-18-7-6-15(20)12-19(18)24-11-10-21-9-8-14-13-22-17-5-3-2-4-16(14)17/h2-7,12-13,21-22H,8-11H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 208n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against binding of radioligand [35]GTPgammaS in CHO cells expressing 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50150083
PNG
(CHEMBL338482 | [2-(5-Fluoro-2-methoxy-phenoxy)-eth...)
Show SMILES COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C19H21FN2O2/c1-23-18-7-6-15(20)12-19(18)24-11-10-21-9-8-14-13-22-17-5-3-2-4-16(14)17/h2-7,12-13,21-22H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 249n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against [3H]-5-HT uptake by human serotonin transporter in JAR cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair