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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 = 'BDBM50199563'   
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))
BDBM50199563
PNG
(8-[(2-dimethylamino-ethyl)-methyl-amino]-6-methoxy...)
Show SMILES COc1cc(N(C)CCN(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C26H33N5O4/c1-29(2)9-10-30(3)23-16-20(34-4)15-21-24(32)17-22(28-25(21)23)26(33)27-18-5-7-19(8-6-18)31-11-13-35-14-12-31/h5-8,15-17H,9-14H2,1-4H3,(H,27,33)(H,28,32)
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Similars

Article
PubMed
392n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells


Bioorg Med Chem 15: 939-50 (2006)


Article DOI: 10.1016/j.bmc.2006.10.037
BindingDB Entry DOI: 10.7270/Q2445M3X
More data for this
Ligand-Target Pair