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20 similar compounds to monomer 31034

Compile data set for download or QSAR
Wt: 240.3
BDBM30863
Purchase
Wt: 226.3
BDBM31021
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Wt: 198.2
BDBM31023
Purchase
Wt: 302.4
BDBM50002163
Wt: 344.4
BDBM50002167
Wt: 316.4
BDBM50002170
Wt: 330.4
BDBM50002172
Wt: 358.5
BDBM50002176
Wt: 223.2
BDBM50015711
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Wt: 216.2
BDBM50015712
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Wt: 214.2
BDBM50015714
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Wt: 232.7
BDBM50015717
Wt: 322.8
BDBM50185809
Wt: 230.2
BDBM50209163
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Wt: 242.3
BDBM50209169
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Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 30863,31021,31023,50002163,50002167,50002170,50002172,50002176,50015711,50015712,50015714,50015717,50185809,50209163,50209169   
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))
BDBM50002176
PNG
(3-[6-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-hexyl]...)
Show SMILES C(CCCc1c[nH]c2ccccc12)CCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2/c1(4-12-23-20-26-25-14-8-7-13-24(23)25)2-9-17-27-18-15-22(16-19-27)21-10-5-3-6-11-21/h3,5-8,10-11,13-15,20,26H,1-2,4,9,12,16-19H2
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4.30n/an/an/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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6n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00996-4
BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50002172
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C23H26N2/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23/h1-5,8-9,11-13,18,24H,6-7,10,14-17H2
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6.40n/an/an/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002170
PNG
(3-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C22H24N2/c1-2-7-18(8-3-1)19-12-15-24(16-13-19)14-6-9-20-17-23-22-11-5-4-10-21(20)22/h1-5,7-8,10-12,17,23H,6,9,13-16H2
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12n/an/an/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002167
PNG
(3-[5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-pentyl...)
Show SMILES C(CCN1CCC(=CC1)c1ccccc1)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H28N2/c1-3-9-20(10-4-1)21-14-17-26(18-15-21)16-8-2-5-11-22-19-25-24-13-7-6-12-23(22)24/h1,3-4,6-7,9-10,12-14,19,25H,2,5,8,11,15-18H2
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13n/an/an/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50209169
PNG
(5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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21n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)

More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50209163
PNG
(5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H15FN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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45n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50209163
PNG
(5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H15FN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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65n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002163
PNG
(3-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C21H22N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-19-16-22-21-9-5-4-8-20(19)21/h1-10,16,22H,11-15H2
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81n/an/an/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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189n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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200n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00996-4
BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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204n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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296n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50185809
PNG
(3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chlo...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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500n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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632n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50209169
PNG
(5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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897n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185809
PNG
(3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chlo...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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1.01E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50185809
PNG
(3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chlo...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50185809
PNG
(3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chlo...)
Show SMILES Clc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C20H19ClN2/c21-17-6-7-20-18(12-17)19(13-22-20)16-8-10-23(11-9-16)14-15-4-2-1-3-5-15/h1-8,12-13,22H,9-11,14H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3524-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.094
BindingDB Entry DOI: 10.7270/Q2VT1RQJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209163
PNG
(5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C14H15FN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209169
PNG
(5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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n/an/a 730n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50002172
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C23H26N2/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23/h1-5,8-9,11-13,18,24H,6-7,10,14-17H2
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]haloperidol (HPD) binding to dopamine (DA) receptor of rat striatal membranes


J Med Chem 31: 1621-5 (1988)


Article DOI: 10.1021/jm00403a022
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/an/an/a 163n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in CHO cells by fluorescence based calcium mobilization assay


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50002172
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C23H26N2/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23/h1-5,8-9,11-13,18,24H,6-7,10,14-17H2
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory binding activity against dopamine receptor in rat striatal membranes using [3H]HAL as the radioligand.


J Med Chem 34: 248-56 (1991)


Article DOI: 10.1021/jm00105a039
BindingDB Entry DOI: 10.7270/Q20Z73WT
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50002170
PNG
(3-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C22H24N2/c1-2-7-18(8-3-1)19-12-15-24(16-13-19)14-6-9-20-17-23-22-11-5-4-10-21(20)22/h1-5,7-8,10-12,17,23H,6,9,13-16H2
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n/an/a 50n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50002176
PNG
(3-[6-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-hexyl]...)
Show SMILES C(CCCc1c[nH]c2ccccc12)CCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2/c1(4-12-23-20-26-25-14-8-7-13-24(23)25)2-9-17-27-18-15-22(16-19-27)21-10-5-3-6-11-21/h3,5-8,10-11,13-15,20,26H,1-2,4,9,12,16-19H2
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n/an/a 40n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50002163
PNG
(3-[2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]...)
Show SMILES C(Cc1c[nH]c2ccccc12)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C21H22N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-19-16-22-21-9-5-4-8-20(19)21/h1-10,16,22H,11-15H2
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n/an/a 100n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50002167
PNG
(3-[5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-pentyl...)
Show SMILES C(CCN1CCC(=CC1)c1ccccc1)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H28N2/c1-3-9-20(10-4-1)21-14-17-26(18-15-21)16-8-2-5-11-22-19-25-24-13-7-6-12-23(22)24/h1,3-4,6-7,9-10,12-14,19,25H,2,5,8,11,15-18H2
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n/an/a 60n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50015712
PNG
(5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Fc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50015717
PNG
(5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT as the radioligand.


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50015711
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole-5-ca...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/a 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50015717
PNG
(5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50015714
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indol-5-ol ...)
Show SMILES Oc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50015714
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indol-5-ol ...)
Show SMILES Oc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50015712
PNG
(5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Fc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50015711
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole-5-ca...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002172
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C23H26N2/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23/h1-5,8-9,11-13,18,24H,6-7,10,14-17H2
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n/an/a 105n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31021
PNG
(3-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indo...)
Show SMILES CCN1CCC(=CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H18N2/c1-2-17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h3-7,11,16H,2,8-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/a 2.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM30863
PNG
(3-(1-isopropyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-...)
Show SMILES CC(C)N1CCC(=CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H20N2/c1-12(2)18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16/h3-7,11-12,17H,8-10H2,1-2H3
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n/an/an/an/a 9.90E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/an/an/a 15.7n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31021
PNG
(3-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indo...)
Show SMILES CCN1CCC(=CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H18N2/c1-2-17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h3-7,11,16H,2,8-10H2,1H3
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n/an/an/an/a 23.9n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM31021
PNG
(3-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indo...)
Show SMILES CCN1CCC(=CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H18N2/c1-2-17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h3-7,11,16H,2,8-10H2,1H3
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair