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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 = 'BDBM50413692'   
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))
BDBM50413692
PNG
(CHEMBL458200)
Show SMILES CN1CCN(CC1=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C29H36N4O2/c1-22-9-10-26-27(30-22)7-4-8-28(26)35-18-17-32-13-11-23(12-14-32)19-24-5-3-6-25(20-24)33-16-15-31(2)29(34)21-33/h3-10,20,23H,11-19,21H2,1-2H3
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PC cid
PC sid
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Article
PubMed
10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair