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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 = 'BDBM50413690'   
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))
BDBM50413690
PNG
(CHEMBL457982)
Show SMILES C[C@@H]1CN([C@@H](C)CN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
Show InChI InChI=1S/C30H40N4O/c1-22-10-11-28-29(32-22)8-5-9-30(28)35-17-16-33-14-12-25(13-15-33)18-26-6-4-7-27(19-26)34-21-23(2)31-20-24(34)3/h4-11,19,23-25,31H,12-18,20-21H2,1-3H3/t23-,24+/m1/s1
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Similars

Article
PubMed
1n/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