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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50306589'   
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))
BDBM50306589
PNG
((R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morp...)
Show SMILES COc1cc2CC[C@@H](Oc2c(c1)N1CCN(C)CC1)C(=O)Nc1ccc(cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C26H34N4O4/c1-28-9-11-30(12-10-28)23-18-22(32-2)17-19-3-8-24(34-25(19)23)26(31)27-20-4-6-21(7-5-20)29-13-15-33-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31)/t24-/m1/s1
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12n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor expressed in CHO cells


J Med Chem 53: 1876-80 (2010)


Article DOI: 10.1021/jm901200t
BindingDB Entry DOI: 10.7270/Q25D8RZ0
More data for this
Ligand-Target Pair