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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 = 'BDBM50413701'   
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))
BDBM50413701
PNG
(CHEMBL462915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)C4CCN(CC4)S(C)(=O)=O)CC3)cccc2n1
Show InChI InChI=1S/C30H39N3O3S/c1-23-9-10-28-29(31-23)7-4-8-30(28)36-20-19-32-15-11-24(12-16-32)21-25-5-3-6-27(22-25)26-13-17-33(18-14-26)37(2,34)35/h3-10,22,24,26H,11-21H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.16n/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