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Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'moltzen' and Initial = 'ek'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50115642
PNG
((+)-65-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2,...)
Show SMILES COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m1/s1
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0.160n/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 2C


(Rattus norvegicus (Rat))
BDBM50115643
PNG
((+/-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro...)
Show SMILES COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3
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0.210n/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 2C


(Rattus norvegicus (Rat))
BDBM50115640
PNG
((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...)
Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1
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0.390n/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


(Rattus norvegicus (rat))
BDBM50115642
PNG
((+)-65-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2,...)
Show SMILES COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m1/s1
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0.550n/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))
BDBM50115643
PNG
((+/-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro...)
Show SMILES COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3
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0.700n/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))
BDBM50115640
PNG
((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...)
Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1
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0.75n/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 2C


(Rattus norvegicus (Rat))
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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1.40n/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


(Rattus norvegicus (rat))
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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1.5n/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 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 2C


(Rattus norvegicus (Rat))
BDBM50115641
PNG
((+/-)-7-2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaz...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccc(O)c21
Show InChI InChI=1S/C18H20N2O/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-17(21)18(14)20/h2-8,16,21H,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 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


(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 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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038220
PNG
(5-(2-Allyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,...)
Show SMILES CN1CCC=C(C1)c1cnn(CC=C)n1 |c:4|
Show InChI InChI=1S/C11H16N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h3,5,8H,1,4,6-7,9H2,2H3
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6.30n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038236
PNG
(1-Methyl-5-(2-prop-2-ynyl-2H-[1,2,3]triazol-4-yl)-...)
Show SMILES CN1CCC=C(C1)c1cnn(CC#C)n1 |c:4|
Show InChI InChI=1S/C11H14N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h1,5,8H,4,6-7,9H2,2H3
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7.70n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50115641
PNG
((+/-)-7-2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaz...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccc(O)c21
Show InChI InChI=1S/C18H20N2O/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-17(21)18(14)20/h2-8,16,21H,9-12H2,1H3
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12n/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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038227
PNG
(5-(2-Butyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,...)
Show SMILES CCCCn1ncc(n1)C1=CCCN(C)C1 |t:10|
Show InChI InChI=1S/C12H20N4/c1-3-4-8-16-13-9-12(14-16)11-6-5-7-15(2)10-11/h6,9H,3-5,7-8,10H2,1-2H3
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13n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038232
PNG
(1-Methyl-5-(2-propyl-2H-[1,2,3]triazol-4-yl)-1,2,3...)
Show SMILES CCCn1ncc(n1)C1=CCCN(C)C1 |t:9|
Show InChI InChI=1S/C11H18N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h5,8H,3-4,6-7,9H2,1-2H3
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15n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
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
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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50115640
PNG
((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...)
Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1
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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 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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038242
PNG
(5-(2-Allyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CN1CCC=C(C1)c1nnn(CC=C)n1 |c:4|
Show InChI InChI=1S/C10H15N5/c1-3-6-15-12-10(11-13-15)9-5-4-7-14(2)8-9/h3,5H,1,4,6-8H2,2H3
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21n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038224
PNG
(5-(2-Ethyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,...)
Show SMILES CCn1ncc(n1)C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C10H16N4/c1-3-14-11-7-10(12-14)9-5-4-6-13(2)8-9/h5,7H,3-4,6,8H2,1-2H3
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24n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038221
PNG
(1-Methyl-5-(2-pentyl-2H-tetrazol-5-yl)-1,2,3,6-tet...)
Show SMILES CCCCCn1nnc(n1)C1=CCCN(C)C1 |t:11|
Show InChI InChI=1S/C12H21N5/c1-3-4-5-9-17-14-12(13-15-17)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
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26n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038239
PNG
(1-Methyl-5-(2-octyl-2H-tetrazol-5-yl)-1,2,3,6-tetr...)
Show SMILES CCCCCCCCn1nnc(n1)C1=CCCN(C)C1 |t:14|
Show InChI InChI=1S/C15H27N5/c1-3-4-5-6-7-8-12-20-17-15(16-18-20)14-10-9-11-19(2)13-14/h10H,3-9,11-13H2,1-2H3
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27n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50115643
PNG
((+/-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro...)
Show SMILES COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3
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28n/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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038251
PNG
(3-Methyl-5-(2-prop-2-ynyl-2H-[1,2,3]triazol-4-yl)-...)
Show SMILES CC1CNCC(=C1)c1cnn(CC#C)n1 |c:5|
Show InChI InChI=1S/C11H14N4/c1-3-4-15-13-8-11(14-15)10-5-9(2)6-12-7-10/h1,5,8-9,12H,4,6-7H2,2H3
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30n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038241
PNG
(5-(2-Hexyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CCCCCCn1nnc(n1)C1=CCCN(C)C1 |t:12|
Show InChI InChI=1S/C13H23N5/c1-3-4-5-6-10-18-15-13(14-16-18)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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32n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038219
PNG
(1-Methyl-5-(2-methyl-2H-[1,2,3]triazol-4-yl)-1,2,3...)
Show SMILES CN1CCC=C(C1)c1cnn(C)n1 |c:4|
Show InChI InChI=1S/C9H14N4/c1-12-5-3-4-8(7-12)9-6-10-13(2)11-9/h4,6H,3,5,7H2,1-2H3
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35n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038210
PNG
(5-(2-Ethyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CCn1nnc(n1)C1=CCCN(C)C1 |t:8|
Show InChI InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3
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36n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038215
PNG
(5-(2-Butyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-tetr...)
Show SMILES CCCCn1nnc(n1)C1=CCCN(C)C1 |t:10|
Show InChI InChI=1S/C11H19N5/c1-3-4-8-16-13-11(12-14-16)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3
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37n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038237
PNG
(5-(2-Heptyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-tet...)
Show SMILES CCCCCCCn1nnc(n1)C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H25N5/c1-3-4-5-6-7-11-19-16-14(15-17-19)13-9-8-10-18(2)12-13/h9H,3-8,10-12H2,1-2H3
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37n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038253
PNG
(1-Methyl-5-(2-vinyl-2H-[1,2,3]triazol-4-yl)-1,2,3,...)
Show SMILES CN1CCC=C(C1)c1cnn(C=C)n1 |c:4|
Show InChI InChI=1S/C10H14N4/c1-3-14-11-7-10(12-14)9-5-4-6-13(2)8-9/h3,5,7H,1,4,6,8H2,2H3
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40n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038225
PNG
(1-Methyl-5-(2-prop-2-ynyl-2H-tetrazol-5-yl)-1,2,3,...)
Show SMILES CN1CCC=C(C1)c1nnn(CC#C)n1 |c:4|
Show InChI InChI=1S/C10H13N5/c1-3-6-15-12-10(11-13-15)9-5-4-7-14(2)8-9/h1,5H,4,6-8H2,2H3
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44n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115640
PNG
((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...)
Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1
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47n/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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038216
PNG
(1-Methyl-5-(2-propyl-2H-tetrazol-5-yl)-1,2,3,6-tet...)
Show SMILES CCCn1nnc(n1)C1=CCCN(C)C1 |t:9|
Show InChI InChI=1S/C10H17N5/c1-3-6-15-12-10(11-13-15)9-5-4-7-14(2)8-9/h5H,3-4,6-8H2,1-2H3
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57n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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70n/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 3 receptor was determined using [3H]-LY-278,584


J Med Chem 45: 3280-5 (2002)


BindingDB Entry DOI: 10.7270/Q28051ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038252
PNG
(5-(2-Propyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrah...)
Show SMILES CCCn1ncc(n1)C1=CCCNC1 |t:9|
Show InChI InChI=1S/C10H16N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h4,8,11H,2-3,5-7H2,1H3
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77n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50115640
PNG
((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...)
Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1
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80n/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 1D receptor was 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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038223
PNG
(5-(2-Isopropyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-...)
Show SMILES CC(C)n1nnc(n1)C1=CCCN(C)C1 |t:9|
Show InChI InChI=1S/C10H17N5/c1-8(2)15-12-10(11-13-15)9-5-4-6-14(3)7-9/h5,8H,4,6-7H2,1-3H3
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84n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038217
PNG
(3-(2-Prop-2-ynyl-2H-[1,2,3]triazol-4-yl)-piperidin...)
Show SMILES C#CCn1ncc(n1)C1CCCNC1
Show InChI InChI=1S/C10H14N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h1,8-9,11H,3-7H2
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84n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115643
PNG
((+/-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro...)
Show SMILES COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3
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92n/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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038245
PNG
(5-(2-Butyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahy...)
Show SMILES CCCCn1ncc(n1)C1=CCCNC1 |t:10|
Show InChI InChI=1S/C11H18N4/c1-2-3-7-15-13-9-11(14-15)10-5-4-6-12-8-10/h5,9,12H,2-4,6-8H2,1H3
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100n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115640
PNG
((-)-6 5-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2...)
Show SMILES COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m0/s1
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100n/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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038218
PNG
(1-Methyl-5-(2-vinyl-2H-tetrazol-5-yl)-1,2,3,6-tetr...)
Show SMILES CN1CCC=C(C1)c1nnn(C=C)n1 |c:4|
Show InChI InChI=1S/C9H13N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h3,5H,1,4,6-7H2,2H3
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120n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038235
PNG
(5-(2-Ethyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahy...)
Show SMILES CCn1ncc(n1)C1=CCCNC1 |t:8|
Show InChI InChI=1S/C9H14N4/c1-2-13-11-7-9(12-13)8-4-3-5-10-6-8/h4,7,10H,2-3,5-6H2,1H3
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120n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038214
PNG
(1-Ethyl-5-(2-ethyl-2H-tetrazol-5-yl)-1,2,3,6-tetra...)
Show SMILES CCN1CCC=C(C1)c1nnn(CC)n1 |c:5|
Show InChI InChI=1S/C10H17N5/c1-3-14-7-5-6-9(8-14)10-11-13-15(4-2)12-10/h6H,3-5,7-8H2,1-2H3
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140n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115642
PNG
((+)-65-Methoxy-2-methyl-1,2,3,4,9,13b-hexahydro-2,...)
Show SMILES COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
Show InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16)12-15-7-5-9-18(22-2)19(15)21/h3-9,17H,10-13H2,1-2H3/t17-/m1/s1
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160n/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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038213
PNG
(3-(2-Allyl-2H-[1,2,3]triazol-4-yl)-piperidine | CH...)
Show SMILES C=CCn1ncc(n1)C1CCCNC1
Show InChI InChI=1S/C10H16N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h2,8-9,11H,1,3-7H2
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170n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038217
PNG
(3-(2-Prop-2-ynyl-2H-[1,2,3]triazol-4-yl)-piperidin...)
Show SMILES C#CCn1ncc(n1)C1CCCNC1
Show InChI InChI=1S/C10H14N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h1,8-9,11H,3-7H2
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170n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50038213
PNG
(3-(2-Allyl-2H-[1,2,3]triazol-4-yl)-piperidine | CH...)
Show SMILES C=CCn1ncc(n1)C1CCCNC1
Show InChI InChI=1S/C10H16N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h2,8-9,11H,1,3-7H2
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170n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for muscarinic M1 receptor by displacing [3H]-Pirenzepine binding on rat brain homogenate.


J Med Chem 37: 4085-99 (1995)


BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
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