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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50074194'   
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 1B


(Homo sapiens (Human))
BDBM50074194
PNG
(2-Phenyl-2-{4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES OCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N6O/c32-17-25(20-5-2-1-3-6-20)30-13-11-29(12-14-30)10-4-7-21-16-26-24-9-8-22(15-23(21)24)31-18-27-28-19-31/h1-3,5-6,8-9,15-16,18-19,25-26,32H,4,7,10-14,17H2
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Patents


Similars

Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B 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