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BDBM50161642 (1R,S)-7-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine::7-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine::CHEMBL181672

SMILES: CC1CNCCc2cc(Cl)ccc12

InChI Key: InChIKey=PDZGZUADJGRISH-UHFFFAOYSA-N

Data: 6 EC50

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 6 hits for monomerid = 50161642   
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


(Homo sapiens (Human))
BDBM50161642
PNG
((1R,S)-7-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-b...)
Show SMILES CC1CNCCc2cc(Cl)ccc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-6-10(12)2-3-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3
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MMDB

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Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Effective concentration towards 5-hydroxytryptamine 2B receptors transfected in HEK-293 cells was determined by measuring [3H]-phosphoinositol releas...


Bioorg Med Chem Lett 15: 1467-70 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.080
BindingDB Entry DOI: 10.7270/Q21R6Q0G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161642
PNG
((1R,S)-7-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-b...)
Show SMILES CC1CNCCc2cc(Cl)ccc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-6-10(12)2-3-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3
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Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Effective concentration towards 5-hydroxytryptamine 2A receptors transfected in HEK-293 cells was determined by measuring [3H]-phosphoinositol releas...


Bioorg Med Chem Lett 15: 1467-70 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.080
BindingDB Entry DOI: 10.7270/Q21R6Q0G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50161642
PNG
((1R,S)-7-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-b...)
Show SMILES CC1CNCCc2cc(Cl)ccc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-6-10(12)2-3-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3
PDB
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Article
PubMed
n/an/an/an/a 158n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as intracellular IP3 accumulation


J Med Chem 51: 305-13 (2008)


Article DOI: 10.1021/jm0709034
BindingDB Entry DOI: 10.7270/Q26Q211B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50161642
PNG
((1R,S)-7-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-b...)
Show SMILES CC1CNCCc2cc(Cl)ccc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-6-10(12)2-3-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 501n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as intracellular IP3 accumulation


J Med Chem 51: 305-13 (2008)


Article DOI: 10.1021/jm0709034
BindingDB Entry DOI: 10.7270/Q26Q211B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161642
PNG
((1R,S)-7-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-b...)
Show SMILES CC1CNCCc2cc(Cl)ccc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-6-10(12)2-3-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as intracellular IP3 accumulation


J Med Chem 51: 305-13 (2008)


Article DOI: 10.1021/jm0709034
BindingDB Entry DOI: 10.7270/Q26Q211B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50161642
PNG
((1R,S)-7-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-b...)
Show SMILES CC1CNCCc2cc(Cl)ccc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-6-10(12)2-3-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 530n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Effective concentration towards 5-hydroxytryptamine 2C receptors transfected in HEK-293 cells was determined by measuring [3H]-phosphoinositol releas...


Bioorg Med Chem Lett 15: 1467-70 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.080
BindingDB Entry DOI: 10.7270/Q21R6Q0G
More data for this
Ligand-Target Pair