BindingDB logo
myBDB logout

Patent code US8592457

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM106968
PNG
(US8592457, 1-5)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2ccccc2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H24N4O3/c1-17-11-19(14-27-13-17)23-12-21(22(16-28-23)18-7-5-4-6-8-18)25(31)29-15-20-9-10-24(32-2)26(30-20)33-3/h4-14,16H,15H2,1-3H3,(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.720 -54.3n/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 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 receptor type 2


(Homo sapiens (Human))
BDBM106971
PNG
(US8592457, 7-5)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
0.950 -53.6n/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 receptor type 2


(Homo sapiens (Human))
BDBM106972
PNG
(US8592457, 7-7)
Show SMILES COc1nc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)ccc1C1CC1
Show InChI InChI=1S/C25H23N5O2S/c1-15-9-17(12-26-11-15)22-10-20(21(14-28-22)25-27-7-8-33-25)23(31)29-13-18-5-6-19(16-3-4-16)24(30-18)32-2/h5-12,14,16H,3-4,13H2,1-2H3,(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.970 -53.5n/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 receptor type 2


(Homo sapiens (Human))
BDBM106969
PNG
(US8592457, 1-13)
Show SMILES COc1ncc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C25H22FN5O3/c1-15-7-17(11-27-10-15)22-9-20(21(14-28-22)16-5-4-6-18(26)8-16)23(32)29-12-19-13-30-24(33-2)25(31-19)34-3/h4-11,13-14H,12H2,1-3H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.5 -49.6n/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
* indicates data uncertainty>20%