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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 = 'BDBM50061296'   
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))
BDBM50061296
PNG
(1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...)
Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3
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PC sid
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Similars

Article
PubMed
0.440n/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))
BDBM50061296
PNG
(1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(...)
Show SMILES COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
Show InChI InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3
PDB

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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 30n/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