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BDBM50052528 3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridine::CHEMBL108463

SMILES: C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1

InChI Key: InChIKey=QNTNWSQRMBFBSH-UHFFFAOYSA-N

Data: 8 KI  1 EC50

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 9 hits for monomerid = 50052528   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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3.30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assay


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 in CHO-K1 cells using [3H]-Spiperone as radioligand


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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37n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal membrane by [3H]-spiperone displacement.


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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37.1n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 of rat striatal membrane was determined


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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555n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity againstserotonin 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT binding assay


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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676n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D4 was determined


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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681n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 in CHO-K1 cells using [3H]-Spiperone as radioligand


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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5.00E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 in rat brain membrane using [3H]-SCH- 23390 as radioligand


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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n/an/an/an/a 1.70n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vivo Dopamine receptor D2 mitogenesis measured as [3H]-thymidine incorporation in CHO p-5 cells expressing human D2 receptors


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair