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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serotonin 1B/1D receptor' and Ligand = 'BDBM50086096'   
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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50086096
PNG
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)
Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)
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Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.


J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair