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BDBM50002639 CHEMBL380264

SMILES: Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1

InChI Key: InChIKey=BHRKWWDDZSRXHQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50002639   
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 2C


(Homo sapiens (Human))
BDBM50002639
PNG
(CHEMBL380264)
Show SMILES Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1 |t:9|
Show InChI InChI=1S/C23H23Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-8,14-15H,1-3,9-13H2
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Article
PubMed
63n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2C receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50002639
PNG
(CHEMBL380264)
Show SMILES Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1 |t:9|
Show InChI InChI=1S/C23H23Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-8,14-15H,1-3,9-13H2
PDB
MMDB

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Article
PubMed
<1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50002639
PNG
(CHEMBL380264)
Show SMILES Clc1ccc(cc1Cl)C1=CCN(C1=O)c1ccc(Cl)c(OCCN2CCCCC2)c1 |t:9|
Show InChI InChI=1S/C23H23Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-8,14-15H,1-3,9-13H2
Reactome pathway
KEGG

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GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
<1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor


Bioorg Med Chem Lett 16: 3906-12 (2006)

Checked by Author
Article DOI: 10.1016/j.bmcl.2006.05.034
BindingDB Entry DOI: 10.7270/Q2FN17PF
More data for this
Ligand-Target Pair