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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 106970   
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))
BDBM106970
PNG
(US8592457, 1-16)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H23FN4O3/c1-16-9-18(13-28-12-16)23-11-21(22(15-29-23)17-5-4-6-19(27)10-17)25(32)30-14-20-7-8-24(33-2)26(31-20)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106970
PNG
(US8592457, 1-16)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H23FN4O3/c1-16-9-18(13-28-12-16)23-11-21(22(15-29-23)17-5-4-6-19(27)10-17)25(32)30-14-20-7-8-24(33-2)26(31-20)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
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US Patent
0.910 -53.7n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM106970
PNG
(US8592457, 1-16)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H23FN4O3/c1-16-9-18(13-28-12-16)23-11-21(22(15-29-23)17-5-4-6-19(27)10-17)25(32)30-14-20-7-8-24(33-2)26(31-20)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
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Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of N-cyclobutyl-5-methyl-N-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R I408...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair