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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50084959'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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Article
260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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PubMed
501n/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))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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PubMed
537n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 125: 202-8 (1998)


Article DOI: 10.1038/sj.bjp.0702059
BindingDB Entry DOI: 10.7270/Q2PC30XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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537n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 125: 202-8 (1998)


Article DOI: 10.1038/sj.bjp.0702059
BindingDB Entry DOI: 10.7270/Q2PC30XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50084959
PNG
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)
Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
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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 affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay


J Med Chem 43: 517-25 (2000)


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