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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50074155'   
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))
BDBM50074155
PNG
(((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-1...)
Show SMILES C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(23-5-3-2-4-6-23)28-14-22-9-11-31(16-22)12-10-24-15-29-26-8-7-21(13-25(24)26)17-32-19-27-18-30-32/h2-8,13,15,18-20,22,28-29H,9-12,14,16-17H2,1H3/t20-,22-/m0/s1
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Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074155
PNG
(((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-1...)
Show SMILES C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(23-5-3-2-4-6-23)28-14-22-9-11-31(16-22)12-10-24-15-29-26-8-7-21(13-25(24)26)17-32-19-27-18-30-32/h2-8,13,15,18-20,22,28-29H,9-12,14,16-17H2,1H3/t20-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair