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BDBM50497423 CHEMBL3343670

SMILES: Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1

InChI Key: InChIKey=VZIRLMPZNVYXDY-UHFFFAOYSA-N

Data: 7 KI  2 IC50

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 9 hits for monomerid = 50497423   
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 7


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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1.70n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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5.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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152n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5-HT2C receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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>1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
MMDB

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>1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha1-adrenergic receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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>1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M5 receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
PDB
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>1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Binding affinity to serotonin 5-HT2A receptor (unknown origin)


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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n/an/a 16n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 receptor expressed in CHO cells assessed as cAMP production by EIA system


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50497423
PNG
(CHEMBL3343670)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2-c3ccccc3C3([#6]-[#6]-[#6]-[#8]3)c2c1
Show InChI InChI=1S/C18H17N3O2.ClH/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18;/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22);1H
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n/an/a 55n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as [3H]PI metabolism


Bioorg Med Chem 22: 6026-38 (2014)


Article DOI: 10.1016/j.bmc.2014.09.005
BindingDB Entry DOI: 10.7270/Q2RN3BT1
More data for this
Ligand-Target Pair