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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 = 'BDBM50271025'   
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))
BDBM50271025
PNG
(4-fluoro-N-(3-{1-[2-(2-{2-[2-(4-{5-[(4-fluorobenze...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C48H54F2N6O5/c49-37-5-1-35(2-6-37)47(57)53-39-9-11-45-41(29-39)43(31-51-45)33-13-17-55(18-14-33)21-23-59-25-27-61-28-26-60-24-22-56-19-15-34(16-20-56)44-32-52-46-12-10-40(30-42(44)46)54-48(58)36-3-7-38(50)8-4-36/h1-12,29-34,51-52H,13-28H2,(H,53,57)(H,54,58)
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Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair