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BDBM50403974 CHEMBL84931

SMILES: CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21

InChI Key: InChIKey=MSQRTETUBFIHMP-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50403974   
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
Histamine H1 receptor


(Homo sapiens (human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H1 receptor expressed in CHO cells by [3H]pyrilamine displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells by [3H]mesulergine displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 501n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells by [125I]R91150 displacement.


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 36n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D2L


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D4


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 1.59E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D2


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D3


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2C adrenergic receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50403974
PNG
(CHEMBL84931)
Show SMILES CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
Show InChI InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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n/an/a 302n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 12: 249-53 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q2ZW1N3V
More data for this
Ligand-Target Pair