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BDBM50213344 CHEMBL294649

SMILES: Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12

InChI Key: InChIKey=ZNAPADWWBWFMCQ-HNNXBMFYSA-N

Data: 18 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 18 hits for monomerid = 50213344   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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0.251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against 5-Hydroxytryptamine 3 receptor


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Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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251n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against 5-hydroxytryptamine 4 receptor


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Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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3.16E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Alpha-2B adrenergic receptor


Citation and Details
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Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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7.94E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Alpha-2A adrenergic receptor


Citation and Details
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Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Muscarinic M1 receptor


Citation and Details
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Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Beta-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Beta-2 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Adrenogenic Alpha-1B receptor


Citation and Details
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Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Alpha-1A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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1.26E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against 5-Hydroxytryptamine 2A receptor


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Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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1.58E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor


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Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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2.51E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Muscarinic acetylcholine receptor M4


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Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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3.98E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against 5-Hydroxytryptamine 1D receptor


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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5.01E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Muscarinic M3 receptor


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Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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5.01E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Muscarinic M2 receptor


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Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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<1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine D1 receptor


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Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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<1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against Dopamine D2 receptor


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Ligand-Target Pair
Serotonin 1a (5-HT1a) receptor


(Mus musculus (Mouse))
BDBM50213344
PNG
(CHEMBL294649)
Show SMILES Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
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<1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor


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Ligand-Target Pair