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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 = 'BDBM50475430'   
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))
BDBM50475430
PNG
(CHEMBL370214)
Show SMILES COc1cc2CCN(C(=O)Nc3cccc(c3Cl)C(F)(F)F)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
Show InChI InChI=1S/C24H28ClF3N4O2/c1-14-12-31(13-15(2)30(14)3)20-11-19-16(10-21(20)34-4)8-9-32(19)23(33)29-18-7-5-6-17(22(18)25)24(26,27)28/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3,(H,29,33)/t14-,15+
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PC cid
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Article
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 15: 4708-12 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.085
BindingDB Entry DOI: 10.7270/Q2CC13F8
More data for this
Ligand-Target Pair