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BDBM50002672 CHEMBL209424

SMILES: Cc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=GNZSGRLCSBCVRF-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 = 50002672   
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))
BDBM50002672
PNG
(CHEMBL209424)
Show SMILES Cc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
Show InChI InChI=1S/C24H26Cl2N2O2/c1-17-5-7-19(16-23(17)30-14-13-27-10-3-2-4-11-27)28-12-9-20(24(28)29)18-6-8-21(25)22(26)15-18/h5-9,15-16H,2-4,10-14H2,1H3
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Article
PubMed
126n/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))
BDBM50002672
PNG
(CHEMBL209424)
Show SMILES Cc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
Show InChI InChI=1S/C24H26Cl2N2O2/c1-17-5-7-19(16-23(17)30-14-13-27-10-3-2-4-11-27)28-12-9-20(24(28)29)18-6-8-21(25)22(26)15-18/h5-9,15-16H,2-4,10-14H2,1H3
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))
BDBM50002672
PNG
(CHEMBL209424)
Show SMILES Cc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:20|
Show InChI InChI=1S/C24H26Cl2N2O2/c1-17-5-7-19(16-23(17)30-14-13-27-10-3-2-4-11-27)28-12-9-20(24(28)29)18-6-8-21(25)22(26)15-18/h5-9,15-16H,2-4,10-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
<2.00E+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