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2 similar compounds to monomer 50139509

Compile data set for download or QSAR
Wt: 302.4
BDBM50002163
Wt: 283.4
BDBM50133460

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50002163,50133460   
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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133460
PNG
(CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1
Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
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8n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


Article DOI: 10.1016/s0960-894x(03)00779-0
BindingDB Entry DOI: 10.7270/Q2PZ587T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50133460
PNG
(CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1
Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
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8n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 14: 727-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.023
BindingDB Entry DOI: 10.7270/Q2M32V5K
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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133460
PNG
(CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1
Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
PDB

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610n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 14: 727-9 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.023
BindingDB Entry DOI: 10.7270/Q2M32V5K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50133460
PNG
(CHEMBL115415 | Dimethyl-{2-[5-(1-methyl-1,2,3,6-te...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)C1=CCN(C)CC1
Show InChI InChI=1S/C18H25N3/c1-20(2)9-6-16-13-19-18-5-4-15(12-17(16)18)14-7-10-21(3)11-8-14/h4-5,7,12-13,19H,6,8-11H2,1-3H3
PDB

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610n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 3419-21 (2003)


Article DOI: 10.1016/s0960-894x(03)00779-0
BindingDB Entry DOI: 10.7270/Q2PZ587T
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