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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50412123'   
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))
BDBM50412123
PNG
(CHEMBL495217)
Show SMILES COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O
Show InChI InChI=1S/C26H33N3O4S/c1-19-7-9-22-23(27-19)5-4-6-25(22)33-16-15-29-13-11-20(12-14-29)17-21-8-10-26(32-2)24(18-21)28-34(3,30)31/h4-10,18,20,28H,11-17H2,1-3H3
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Similars

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair