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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 = 'BDBM336766'   
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))
BDBM336766
PNG
((2-(2H-1,2,3-triazol-2- yl)phenyl)((2R,5R)-2- meth...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-15-6-7-17(33-20-12-16(8-9-26-20)32-14-22(23,24)25)13-29(15)21(31)18-4-2-3-5-19(18)30-27-10-11-28-30/h2-5,8-12,15,17H,6-7,13-14H2,1H3/t15-,17-/m1/s1
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PC cid
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Article
US Patent
n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair