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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 = 'BDBM336754'   
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))
BDBM336754
PNG
(2-({(3R,6R)-1-[(2- ethoxyphenyl) carbonyl]-6- meth...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1cc(OC)ccn1
Show InChI InChI=1S/C21H26N2O4/c1-4-26-19-8-6-5-7-18(19)21(24)23-14-17(10-9-15(23)2)27-20-13-16(25-3)11-12-22-20/h5-8,11-13,15,17H,4,9-10,14H2,1-3H3/t15-,17-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 34.8n/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)

More data for this
Ligand-Target Pair