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Patent code US8703770

Compile Data Set for Download or QSAR
Found 2 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))
BDBM120387
PNG
(US8703770, 2-2)
Show SMILES COc1ccc(CNC(=O)c2cc(nnc2N2CCOCC2)-c2cc(C)cc(Cl)c2)cc1OC
Show InChI InChI=1S/C25H27ClN4O4/c1-16-10-18(13-19(26)11-16)21-14-20(24(29-28-21)30-6-8-34-9-7-30)25(31)27-15-17-4-5-22(32-2)23(12-17)33-3/h4-5,10-14H,6-9,15H2,1-3H3,(H,27,31)
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PC cid
PC sid
UniChem
US Patent
0.960n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined Alternatively, compound p...


US Patent US8703770 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q32
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM120386
PNG
(US8703770, 1-5)
Show SMILES COc1ccc(CNC(=O)c2cc(nnc2-c2cnn(C)c2)-c2cc(C)cc(C)c2)cc1OC
Show InChI InChI=1S/C26H27N5O3/c1-16-8-17(2)10-19(9-16)22-12-21(25(30-29-22)20-14-28-31(3)15-20)26(32)27-13-18-6-7-23(33-4)24(11-18)34-5/h6-12,14-15H,13H2,1-5H3,(H,27,32)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined Alternatively, compound p...


US Patent US8703770 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q32
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%