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BDBM50146360 CHEMBL328573::Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetrahydro-1-oxa-12b-aza-dibenzo[e,h]azulen-2-yl)methyl]-amine

SMILES: CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21

InChI Key: InChIKey=BTSCZNWXJQSJIE-QFBILLFUSA-N

Data: 3 KI  38 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 41 hits for monomerid = 50146360   
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))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pyrilamine from human cloned histamine H1 receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Ability to displace [125I]-R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells


Bioorg Med Chem Lett 14: 2765-71 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.069
BindingDB Entry DOI: 10.7270/Q21835ZF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 537n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 372n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 661n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT1D receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 871n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2L


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 977n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT1A receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-3A adrenergic receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D3


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Histamine H1 receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT2C receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 132n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D4


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 3573-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00796-5
BindingDB Entry DOI: 10.7270/Q26M384X
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 537n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 170n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 977n/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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 132n/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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 372n/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 1D


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 661n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 661n/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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 537n/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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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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 human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 871n/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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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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 human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 170n/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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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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 human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 977n/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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 132n/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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 372n/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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 195n/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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 1.86E+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: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 1.86E+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 2C


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 12n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 195n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 871n/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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 6.80n/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


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand


Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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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