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4 similar compounds to monomer 79215

Compile data set for download or QSAR
Wt: 529.6
BDBM50084951
Wt: 483.5
BDBM50084960
Wt: 485.5
BDBM50408700
Wt: 497.5
BDBM50408705

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50084951,50084960,50408700,50408705   
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))
BDBM50408705
PNG
(CHEMBL20791)
Show SMILES CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27-26(18-24)34(15-16-36-27)14-13-33(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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2.51n/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 1B


(Homo sapiens (Human))
BDBM50408700
PNG
(CHEMBL282693)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C
Show InChI InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34)
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2.51n/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))
BDBM50408705
PNG
(CHEMBL20791)
Show SMILES CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27-26(18-24)34(15-16-36-27)14-13-33(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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3.98n/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 2A


(Homo sapiens (Human))
BDBM50408700
PNG
(CHEMBL282693)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C
Show InChI InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34)
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5.01n/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))
BDBM50408705
PNG
(CHEMBL20791)
Show SMILES CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27-26(18-24)34(15-16-36-27)14-13-33(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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19.9n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50408700
PNG
(CHEMBL282693)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C
Show InChI InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34)
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39.8n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50084951
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37)
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n/an/a 600n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50084951
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50084960
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O
Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(27-29-19(2)36-31-27)8-10-24(18)20-4-6-21(7-5-20)28(35)30-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,30,35)
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n/an/a 7.30n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50084960
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O
Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(27-29-19(2)36-31-27)8-10-24(18)20-4-6-21(7-5-20)28(35)30-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,30,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine reuptake


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50084960
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O
Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(27-29-19(2)36-31-27)8-10-24(18)20-4-6-21(7-5-20)28(35)30-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,30,35)
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n/an/a 467n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50084951
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37)
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n/an/a 900n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 5-hydroxytryptamine reuptake


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50084951
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37)
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n/an/a 10n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50084960
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O
Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(27-29-19(2)36-31-27)8-10-24(18)20-4-6-21(7-5-20)28(35)30-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,30,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays


J Med Chem 43: 517-25 (2000)


Article DOI: 10.1021/jm990397l
BindingDB Entry DOI: 10.7270/Q2WM1CNB
More data for this
Ligand-Target Pair