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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 1' and Ligand = 'BDBM50133877'   
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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133877
PNG
(CHEMBL3634027)
Show SMILES Cc1cc2CC[C@H](NC(=O)COc3cc(C)c4c(nn(C)c4n3)C3CC3)c2cn1 |r|
Show InChI InChI=1/C22H25N5O2/c1-12-8-19(25-22-20(12)21(14-4-5-14)26-27(22)3)29-11-18(28)24-17-7-6-15-9-13(2)23-10-16(15)17/h8-10,14,17H,4-7,11H2,1-3H3,(H,24,28)/t17-/s2
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783n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair