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1 similar compounds to monomer 50084959

Compile data set for download or QSAR
Wt: 494.5
BDBM50086096

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50086096   
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 1B


(Homo sapiens (Human))
BDBM50086096
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
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PubMed
31.6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor


J Med Chem 41: 1218-35 (1998)


Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50086096
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor


J Med Chem 41: 1218-35 (1998)


Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50086096
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
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2.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


J Med Chem 41: 1218-35 (1998)


Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50086096
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.


J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
HTR1D


(RAT)
BDBM50086096
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.


J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50086096
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
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n/an/a 2.10n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.


J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair