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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50271018'   
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 1D


(Homo sapiens (Human))		BDBM50271018
PNG
(4-fluoro-N-(3-{1-[6-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C46H50F2N6O2/c47-35-9-5-33(6-10-35)45(55)51-37-13-15-43-39(27-37)41(29-49-43)31-17-23-53(24-18-31)21-3-1-2-4-22-54-25-19-32(20-26-54)42-30-50-44-16-14-38(28-40(42)44)52-46(56)34-7-11-36(48)12-8-34/h5-16,27-32,49-50H,1-4,17-26H2,(H,51,55)(H,52,56)
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Similars
Article
PubMed
 0.600n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D 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