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SMILES: CN1CCN2C(C1)c1ccccc1Cc1cccnc21

InChI Key: InChIKey=RONZAEMNMFQXRA-UHFFFAOYSA-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 70 hits for monomerid = 50115644   
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


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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0.630n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pyrilamine binding to human Histamine H1 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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2n/an/an/an/an/an/an/an/a



University Center for Pharmacy

Curated by ChEMBL


Assay Description
The binding affinity of the compound at 5-hydroxytryptamine 2A receptor was determined using [3H]-ketanserin


J Med Chem 45: 3280-5 (2002)


BindingDB Entry DOI: 10.7270/Q28051ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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4.79n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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5.5n/an/an/an/an/an/an/an/a



University Center for Pharmacy

Curated by ChEMBL


Assay Description
The binding affinity of the compound at 5-hydroxytryptamine 2C receptor was determined using [3H]-mesulergine


J Med Chem 45: 3280-5 (2002)


BindingDB Entry DOI: 10.7270/Q28051ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
8.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126679
BindingDB Entry DOI: 10.7270/Q2445QV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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8.91n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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14.8n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin from rat prefrontal cerebral cortex mambranes


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126679
BindingDB Entry DOI: 10.7270/Q2445QV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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>18n/an/an/an/an/an/an/an/a



University Center for Pharmacy

Curated by ChEMBL


Assay Description
The binding affinity of the compound at the 5-hydroxytryptamine 1A receptor determined using [3H]-5-CT


J Med Chem 45: 3280-5 (2002)


BindingDB Entry DOI: 10.7270/Q28051ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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18n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-rauwolscine binding to Alpha-2C adrenergic receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-rauwolscine binding to Alpha-2A adrenergic receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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>20n/an/an/an/an/an/an/an/a



University Center for Pharmacy

Curated by ChEMBL


Assay Description
The binding affinity of the compound at the Dopamine receptor D3 determined using [3H]-spiperone


J Med Chem 45: 3280-5 (2002)


BindingDB Entry DOI: 10.7270/Q28051ZZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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>25n/an/an/an/an/an/an/an/a



University Center for Pharmacy

Curated by ChEMBL


Assay Description
The binding affinity of the compound at the Dopamine receptor D4 determined using [3H]-YM-09151-2


J Med Chem 45: 3280-5 (2002)


BindingDB Entry DOI: 10.7270/Q28051ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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39n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-mesulergine binding to human 5-hydroxytryptamine 2C receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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60.3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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63.1n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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69n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]-R91150 binding to human 5-hydroxytryptamine 2A receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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112n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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251n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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265n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT binding to human 5-hydroxytryptamine 7 receptor


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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316n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
372n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
794n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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1.46E+3n/an/an/an/an/an/an/an/a



University Center for Pharmacy

Curated by ChEMBL


Assay Description
The binding affinity of the compound at the Dopamine receptor D2 determined using [3H]-spiperone


J Med Chem 45: 3280-5 (2002)


BindingDB Entry DOI: 10.7270/Q28051ZZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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1.51E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
1.64E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxetine binding to rat Norepinephrine transpoter


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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2.34E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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2.51E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
2.51E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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2.90E+3n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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2.90E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from human 5-HT3A receptor expressed in HEK293 cells by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
3.98E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
3.98E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
4.17E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to rat Dopamine receptor D1


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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4.60E+3n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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5.01E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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>5.45E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to human Dopamine receptor D2


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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5.72E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodosulpride binding to human Dopamine receptor D3


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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7.08E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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7.94E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
7.94E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
7.94E+3n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Organon International

Curated by PDSP Ki Database




Neuropharmacology 27: 399-408 (1988)


Article DOI: 10.1016/0028-3908(88)90149-9
BindingDB Entry DOI: 10.7270/Q2B27SSW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
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