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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 205108   
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))
BDBM205108
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (1,3-thiazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-c1nccs1)Oc1nccc(C#N)c1C |r|
Show InChI InChI=1S/C23H21FN4O2S/c1-14-6-7-17(30-21-15(2)16(12-25)8-9-26-21)13-28(14)23(29)20-18(4-3-5-19(20)24)22-27-10-11-31-22/h3-5,8-11,14,17H,6-7,13H2,1-2H3/t14-,17-/m1/s1
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PC cid
PC sid
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US Patent
0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)


BindingDB Entry DOI: 10.7270/Q2D50PZW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM205108
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (1,3-thiazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-c1nccs1)Oc1nccc(C#N)c1C |r|
Show InChI InChI=1S/C23H21FN4O2S/c1-14-6-7-17(30-21-15(2)16(12-25)8-9-26-21)13-28(14)23(29)20-18(4-3-5-19(20)24)22-27-10-11-31-22/h3-5,8-11,14,17H,6-7,13H2,1-2H3/t14-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
72n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)


BindingDB Entry DOI: 10.7270/Q2D50PZW
More data for this
Ligand-Target Pair