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BDBM50150099 CHEMBL339490::[2-(7-Fluoro-2,3-dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine

SMILES: Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1

InChI Key: InChIKey=ALJJNAMKZDVVQD-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 = 50150099   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50150099
PNG
(CHEMBL339490 | [2-(7-Fluoro-2,3-dihydro-benzo[1,4]...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
Show InChI InChI=1S/C21H22F2N2O3/c22-15-3-4-18-17(10-15)14(13-25-18)2-1-5-24-6-7-26-19-11-16(23)12-20-21(19)28-9-8-27-20/h3-4,10-13,24-25H,1-2,5-9H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.490n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50150099
PNG
(CHEMBL339490 | [2-(7-Fluoro-2,3-dihydro-benzo[1,4]...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
Show InChI InChI=1S/C21H22F2N2O3/c22-15-3-4-18-17(10-15)14(13-25-18)2-1-5-24-6-7-26-19-11-16(23)12-20-21(19)28-9-8-27-20/h3-4,10-13,24-25H,1-2,5-9H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.4n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50150099
PNG
(CHEMBL339490 | [2-(7-Fluoro-2,3-dihydro-benzo[1,4]...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
Show InChI InChI=1S/C21H22F2N2O3/c22-15-3-4-18-17(10-15)14(13-25-18)2-1-5-24-6-7-26-19-11-16(23)12-20-21(19)28-9-8-27-20/h3-4,10-13,24-25H,1-2,5-9H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 198n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against 5-HT 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 (5-HT1A)


(Homo sapiens (Human))
BDBM50150099
PNG
(CHEMBL339490 | [2-(7-Fluoro-2,3-dihydro-benzo[1,4]...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
Show InChI InChI=1S/C21H22F2N2O3/c22-15-3-4-18-17(10-15)14(13-25-18)2-1-5-24-6-7-26-19-11-16(23)12-20-21(19)28-9-8-27-20/h3-4,10-13,24-25H,1-2,5-9H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 156n/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))
BDBM50150099
PNG
(CHEMBL339490 | [2-(7-Fluoro-2,3-dihydro-benzo[1,4]...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
Show InChI InChI=1S/C21H22F2N2O3/c22-15-3-4-18-17(10-15)14(13-25-18)2-1-5-24-6-7-26-19-11-16(23)12-20-21(19)28-9-8-27-20/h3-4,10-13,24-25H,1-2,5-9H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24.6n/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