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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor 1' and Ligand = 'BDBM50384412'   
Target
(Institution)
LigandTarget
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
Orexin receptor 1


(Homo sapiens (Human))
BDBM50384412
PNG
(CHEMBL2031504)
Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)/t16-,20-/m0/s1
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Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)

More data for this
Ligand-Target Pair