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Patent code US9242995

Compile Data Set for Download or QSAR
Found 3 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))		BDBM203462
PNG
(US9242995, 1-21)
Show SMILES COc1cc(C)c(CNC(=O)c2cc(nc3onc(-c4cccs4)c23)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H23N5O4S/c1-14-8-16(12-27-11-14)18-10-17(22-23(21-6-5-7-36-21)31-35-26(22)29-18)24(32)28-13-19-15(2)9-20(33-3)25(30-19)34-4/h5-12H,13H2,1-4H3,(H,28,32)
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PC cid
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UniChem
US Patent
 0.700 -54.4n/an/an/an/an/an/a37



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 ...

US Patent US9242995 (2016)


BindingDB Entry DOI: 10.7270/Q2736PQS
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM203460
PNG
(US9242995, 1-8)
Show SMILES COc1ccc(CNC(=O)c2cc(nc3onc(-c4ccccc4)c23)-c2cncc(Br)c2)nc1OC
Show InChI InChI=1S/C26H20BrN5O4/c1-34-21-9-8-18(30-25(21)35-2)14-29-24(33)19-11-20(16-10-17(27)13-28-12-16)31-26-22(19)23(32-36-26)15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,29,33)
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US Patent
 3.80 -50.0n/an/an/an/an/an/a37



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 ...

US Patent US9242995 (2016)


BindingDB Entry DOI: 10.7270/Q2736PQS
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM203461
PNG
(US9242995, 1-12)
Show SMILES COc1ccc(CNC(=O)c2cc(nc3onc(-c4ccccc4)c23)-c2cncc(C)c2)cc1OC
Show InChI InChI=1S/C28H24N4O4/c1-17-11-20(16-29-14-17)22-13-21(25-26(32-36-28(25)31-22)19-7-5-4-6-8-19)27(33)30-15-18-9-10-23(34-2)24(12-18)35-3/h4-14,16H,15H2,1-3H3,(H,30,33)
PDB

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PC cid
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UniChem
US Patent
 10.8 -47.3n/an/an/an/an/an/a37



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 ...

US Patent US9242995 (2016)


BindingDB Entry DOI: 10.7270/Q2736PQS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%