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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor' and Ligand = 'BDBM50138474'   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138474
PNG
((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14|
Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
106n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair