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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50061297'   
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 1B


(Homo sapiens (Human))
BDBM50061297
PNG
(1-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
Show InChI InChI=1S/C29H34N4O4/c1-30-10-12-31(13-11-30)25-5-2-4-22-8-9-23(20-24(22)25)37-21-28(34)33-16-14-32(15-17-33)26-6-3-7-27-29(26)36-19-18-35-27/h2-9,20H,10-19,21H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
0.430n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50061297
PNG
(1-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
Show InChI InChI=1S/C29H34N4O4/c1-30-10-12-31(13-11-30)25-5-2-4-22-8-9-23(20-24(22)25)37-21-28(34)33-16-14-32(15-17-33)26-6-3-7-27-29(26)36-19-18-35-27/h2-9,20H,10-19,21H2,1H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation


J Med Chem 40: 3974-8 (1998)


Article DOI: 10.1021/jm9703552
BindingDB Entry DOI: 10.7270/Q2FT8K57
More data for this
Ligand-Target Pair