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BDBM50002664 CHEMBL212270

SMILES: COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1

InChI Key: InChIKey=JRYQEJUKNHQEBY-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 = 50002664   
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))
BDBM50002664
PNG
(CHEMBL212270)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21|
Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3
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2.5n/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))
BDBM50002664
PNG
(CHEMBL212270)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21|
Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3
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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
631n/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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50002664
PNG
(CHEMBL212270)
Show SMILES COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1cccc(Cl)c1 |c:21|
Show InChI InChI=1S/C24H27ClN2O3/c1-29-22-9-8-20(17-23(22)30-15-14-26-11-3-2-4-12-26)27-13-10-21(24(27)28)18-6-5-7-19(25)16-18/h5-10,16-17H,2-4,11-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
631n/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