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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 = 'BDBM50074182'   
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))
BDBM50074182
PNG
(1-Benzyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...)
Show SMILES S=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1
Show InChI InChI=1S/C24H26N6S/c31-24-16-28(11-12-29(24)15-19-5-2-1-3-6-19)10-4-7-20-14-25-23-9-8-21(13-22(20)23)30-17-26-27-18-30/h1-3,5-6,8-9,13-14,17-18,25H,4,7,10-12,15-16H2
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Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074182
PNG
(1-Benzyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...)
Show SMILES S=C1CN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CCN1Cc1ccccc1
Show InChI InChI=1S/C24H26N6S/c31-24-16-28(11-12-29(24)15-19-5-2-1-3-6-19)10-4-7-20-14-25-23-9-8-21(13-22(20)23)30-17-26-27-18-30/h1-3,5-6,8-9,13-14,17-18,25H,4,7,10-12,15-16H2
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 2.30n/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 human 5-hydroxytryptamine 1D receptor.


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair