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SMILES: [H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2

InChI Key: InChIKey=UBBZCPBZRDCZAF-GFCCVEGCSA-N

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 = 50492215   
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))
BDBM50492215
PNG
(CHEMBL2397898)
Show SMILES [H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2 |r|
Show InChI InChI=1S/C14H18N2O/c1-2-10-3-4-13-11(7-10)8-12-9-15-5-6-16(12)14(13)17/h3-4,7,12,15H,2,5-6,8-9H2,1H3/t12-/m1/s1
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231n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5-HT2A receptor expressed in HEK293E cells after 45 mins by Top counting analysis


Bioorg Med Chem Lett 23: 3914-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.061
BindingDB Entry DOI: 10.7270/Q2T156KD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50492215
PNG
(CHEMBL2397898)
Show SMILES [H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2 |r|
Show InChI InChI=1S/C14H18N2O/c1-2-10-3-4-13-11(7-10)8-12-9-15-5-6-16(12)14(13)17/h3-4,7,12,15H,2,5-6,8-9H2,1H3/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2B receptor expressed in HEK293E cells assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 23: 3914-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.061
BindingDB Entry DOI: 10.7270/Q2T156KD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50492215
PNG
(CHEMBL2397898)
Show SMILES [H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2 |r|
Show InChI InChI=1S/C14H18N2O/c1-2-10-3-4-13-11(7-10)8-12-9-15-5-6-16(12)14(13)17/h3-4,7,12,15H,2,5-6,8-9H2,1H3/t12-/m1/s1
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n/an/an/an/a 55n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2C receptor expressed in HEK293E cells assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 23: 3914-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.061
BindingDB Entry DOI: 10.7270/Q2T156KD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50492215
PNG
(CHEMBL2397898)
Show SMILES [H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2 |r|
Show InChI InChI=1S/C14H18N2O/c1-2-10-3-4-13-11(7-10)8-12-9-15-5-6-16(12)14(13)17/h3-4,7,12,15H,2,5-6,8-9H2,1H3/t12-/m1/s1
PDB

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227n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human recombinant 5-HT2B receptor expressed in HEK293E cells after 45 mins by Top counting analysis


Bioorg Med Chem Lett 23: 3914-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.061
BindingDB Entry DOI: 10.7270/Q2T156KD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50492215
PNG
(CHEMBL2397898)
Show SMILES [H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2 |r|
Show InChI InChI=1S/C14H18N2O/c1-2-10-3-4-13-11(7-10)8-12-9-15-5-6-16(12)14(13)17/h3-4,7,12,15H,2,5-6,8-9H2,1H3/t12-/m1/s1
PDB

Reactome pathway
KEGG

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PC sid
UniChem
Article
PubMed
56n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5-HT2C receptor expressed in HEK293E cells after 45 mins by Top counting analysis


Bioorg Med Chem Lett 23: 3914-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.061
BindingDB Entry DOI: 10.7270/Q2T156KD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50492215
PNG
(CHEMBL2397898)
Show SMILES [H][C@@]12CNCCN1C(=O)c1ccc(CC)cc1C2 |r|
Show InChI InChI=1S/C14H18N2O/c1-2-10-3-4-13-11(7-10)8-12-9-15-5-6-16(12)14(13)17/h3-4,7,12,15H,2,5-6,8-9H2,1H3/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in HEK293E cells assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 23: 3914-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.061
BindingDB Entry DOI: 10.7270/Q2T156KD
More data for this
Ligand-Target Pair