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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM336800'   
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 2


(Homo sapiens (Human))
BDBM336800
PNG
(((2R,5R)-5-((4-(2,2-Difluoroethoxy)pyridin-2-yl)ox...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F2N4O3S/c1-14-3-4-16(31-19-11-15(5-9-25-19)30-13-18(23)24)12-28(14)22(29)17-6-10-32-20(17)21-26-7-2-8-27-21/h2,5-11,14,16,18H,3-4,12-13H2,1H3/t14-,16-/m1/s1
PDB

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PC cid
PC sid
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Article
US Patent
n/an/a 36n/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
More data for this
Ligand-Target Pair