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BDBM50132121 8-Chloro-2-[3-(4-fluoro-phenoxy)-propyl]-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole::CHEMBL338095

SMILES: Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cc(Cl)ccc12

InChI Key: InChIKey=BCQBDOPTUDKMGI-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50132121   
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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50132121
PNG
(8-Chloro-2-[3-(4-fluoro-phenoxy)-propyl]-5-methyl-...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cc(Cl)ccc12
Show InChI InChI=1S/C21H22ClFN2O/c1-24-20-8-3-15(22)13-18(20)19-14-25(11-9-21(19)24)10-2-12-26-17-6-4-16(23)5-7-17/h3-8,13H,2,9-12,14H2,1H3
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Article
PubMed
130n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-HT5


(MOUSE)
BDBM50132121
PNG
(8-Chloro-2-[3-(4-fluoro-phenoxy)-propyl]-5-methyl-...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cc(Cl)ccc12
Show InChI InChI=1S/C21H22ClFN2O/c1-24-20-8-3-15(22)13-18(20)19-14-25(11-9-21(19)24)10-2-12-26-17-6-4-16(23)5-7-17/h3-8,13H,2,9-12,14H2,1H3
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180n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132121
PNG
(8-Chloro-2-[3-(4-fluoro-phenoxy)-propyl]-5-methyl-...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cc(Cl)ccc12
Show InChI InChI=1S/C21H22ClFN2O/c1-24-20-8-3-15(22)13-18(20)19-14-25(11-9-21(19)24)10-2-12-26-17-6-4-16(23)5-7-17/h3-8,13H,2,9-12,14H2,1H3
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270n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50132121
PNG
(8-Chloro-2-[3-(4-fluoro-phenoxy)-propyl]-5-methyl-...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cc(Cl)ccc12
Show InChI InChI=1S/C21H22ClFN2O/c1-24-20-8-3-15(22)13-18(20)19-14-25(11-9-21(19)24)10-2-12-26-17-6-4-16(23)5-7-17/h3-8,13H,2,9-12,14H2,1H3
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Article
PubMed
300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 cells using [3H]mesulergine as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair