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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'akagawa' and Initial = 'm'   
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))
BDBM50292929
PNG
(CHEMBL455136 | almorexant)
Show SMILES CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029065
PNG
(CHEMBL3343260)
Show SMILES COc1ccc(OCC2(CC2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)
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5n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029044
PNG
(CHEMBL3343242)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H25NO4/c1-28-22-14-13-20(15-23(22)29-2)30-17-25(18-9-5-3-6-10-18)16-21(25)24(27)26-19-11-7-4-8-12-19/h3-15,21H,16-17H2,1-2H3,(H,26,27)/t21-,25+/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029044
PNG
(CHEMBL3343242)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H25NO4/c1-28-22-14-13-20(15-23(22)29-2)30-17-25(18-9-5-3-6-10-18)16-21(25)24(27)26-19-11-7-4-8-12-19/h3-15,21H,16-17H2,1-2H3,(H,26,27)/t21-,25+/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50417257
PNG
(SB-649868)
Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50318701
PNG
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
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12n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029060
PNG
(CHEMBL3343255)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2nc(C)cs2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H24N2O4S/c1-15-13-30-22(24-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1
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14n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029064
PNG
(CHEMBL3343259)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1
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14n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029062
PNG
(CHEMBL3343257)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)c2ccccc2)cc1OC
Show InChI InChI=1S/C26H23FN2O4/c1-31-22-11-9-18(13-23(22)32-2)33-15-26(16-6-4-3-5-7-16)14-19(26)24(30)25-28-20-10-8-17(27)12-21(20)29-25/h3-13,19H,14-15H2,1-2H3,(H,28,29)/t19-,26+/m0/s1
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27n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029061
PNG
(CHEMBL3343256)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)on2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H24N2O5/c1-15-11-21(25-30-15)24-22(26)18-13-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(12-17)28-3/h4-12,18H,13-14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1
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28n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029063
PNG
(CHEMBL3343258)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cc(ccn2)C#N)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-30-21-9-8-19(13-22(21)31-2)32-16-25(18-6-4-3-5-7-18)14-20(25)24(29)28-23-12-17(15-26)10-11-27-23/h3-13,20H,14,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1
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34n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029059
PNG
(CHEMBL3343254)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ncc(C)s2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H24N2O4S/c1-15-13-24-22(30-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1
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35n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029048
PNG
(CHEMBL3343246)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)cc1OC
Show InChI InChI=1S/C24H24N2O4/c1-28-20-12-11-18(14-21(20)29-2)30-16-24(17-8-4-3-5-9-17)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1
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36n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029057
PNG
(CHEMBL3343252)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cccnc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C24H24N2O4/c1-28-21-11-10-19(13-22(21)29-2)30-16-24(17-7-4-3-5-8-17)14-20(24)23(27)26-18-9-6-12-25-15-18/h3-13,15,20H,14,16H2,1-2H3,(H,26,27)/t20-,24+/m0/s1
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51n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029058
PNG
(CHEMBL3343253)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccncc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C24H24N2O4/c1-28-21-9-8-19(14-22(21)29-2)30-16-24(17-6-4-3-5-7-17)15-20(24)23(27)26-18-10-12-25-13-11-18/h3-14,20H,15-16H2,1-2H3,(H,25,26,27)/t20-,24+/m0/s1
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85n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029063
PNG
(CHEMBL3343258)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cc(ccn2)C#N)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-30-21-9-8-19(13-22(21)31-2)32-16-25(18-6-4-3-5-7-18)14-20(25)24(29)28-23-12-17(15-26)10-11-27-23/h3-13,20H,14,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1
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103n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029062
PNG
(CHEMBL3343257)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)c2ccccc2)cc1OC
Show InChI InChI=1S/C26H23FN2O4/c1-31-22-11-9-18(13-23(22)32-2)33-15-26(16-6-4-3-5-7-16)14-19(26)24(30)25-28-20-10-8-17(27)12-21(20)29-25/h3-13,19H,14-15H2,1-2H3,(H,28,29)/t19-,26+/m0/s1
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106n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029065
PNG
(CHEMBL3343260)
Show SMILES COc1ccc(OCC2(CC2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)
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106n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029064
PNG
(CHEMBL3343259)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1
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123n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029052
PNG
(CHEMBL3343248)
Show SMILES COc1ccc(cc1OC)[C@]1(COc2ccccc2)C[C@H]1C(=O)Nc1ccccn1
Show InChI InChI=1S/C24H24N2O4/c1-28-20-12-11-17(14-21(20)29-2)24(16-30-18-8-4-3-5-9-18)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1
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129n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029057
PNG
(CHEMBL3343252)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cccnc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C24H24N2O4/c1-28-21-11-10-19(13-22(21)29-2)30-16-24(17-7-4-3-5-8-17)14-20(24)23(27)26-18-9-6-12-25-15-18/h3-13,15,20H,14,16H2,1-2H3,(H,26,27)/t20-,24+/m0/s1
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206n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029059
PNG
(CHEMBL3343254)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ncc(C)s2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H24N2O4S/c1-15-13-24-22(30-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1
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291n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029055
PNG
(CHEMBL3343250)
Show SMILES COCc1cc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)ccc1OC
Show InChI InChI=1S/C25H26N2O4/c1-29-16-18-14-20(11-12-22(18)30-2)31-17-25(19-8-4-3-5-9-19)15-21(25)24(28)27-23-10-6-7-13-26-23/h3-14,21H,15-17H2,1-2H3,(H,26,27,28)/t21-,25+/m0/s1
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384n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029061
PNG
(CHEMBL3343256)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)on2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H24N2O5/c1-15-11-21(25-30-15)24-22(26)18-13-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(12-17)28-3/h4-12,18H,13-14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1
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505n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029053
PNG
(CHEMBL3341773)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)cc1
Show InChI InChI=1S/C23H22N2O3/c1-27-18-10-12-19(13-11-18)28-16-23(17-7-3-2-4-8-17)15-20(23)22(26)25-21-9-5-6-14-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1
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588n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029055
PNG
(CHEMBL3343250)
Show SMILES COCc1cc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)ccc1OC
Show InChI InChI=1S/C25H26N2O4/c1-29-16-18-14-20(11-12-22(18)30-2)31-17-25(19-8-4-3-5-9-19)15-21(25)24(28)27-23-10-6-7-13-26-23/h3-14,21H,15-17H2,1-2H3,(H,26,27,28)/t21-,25+/m0/s1
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747n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029056
PNG
(CHEMBL3343251)
Show SMILES COCc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H26N2O4/c1-29-16-18-11-12-20(14-22(18)30-2)31-17-25(19-8-4-3-5-9-19)15-21(25)24(28)27-23-10-6-7-13-26-23/h3-14,21H,15-17H2,1-2H3,(H,26,27,28)/t21-,25+/m0/s1
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772n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029060
PNG
(CHEMBL3343255)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2nc(C)cs2)c2ccccc2)cc1OC
Show InChI InChI=1S/C23H24N2O4S/c1-15-13-30-22(24-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1
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832n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029049
PNG
(CHEMBL3343247)
Show SMILES O=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c25-21(24-20-13-7-8-14-23-20)19-15-22(19,17-9-3-1-4-10-17)16-26-18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,23,24,25)/t19-,22+/m0/s1
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967n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029048
PNG
(CHEMBL3343246)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)cc1OC
Show InChI InChI=1S/C24H24N2O4/c1-28-20-12-11-18(14-21(20)29-2)30-16-24(17-8-4-3-5-9-17)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029054
PNG
(CHEMBL3343249)
Show SMILES COc1cccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)c1
Show InChI InChI=1S/C23H22N2O3/c1-27-18-10-7-11-19(14-18)28-16-23(17-8-3-2-4-9-17)15-20(23)22(26)25-21-12-5-6-13-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1
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1.33E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029058
PNG
(CHEMBL3343253)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccncc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C24H24N2O4/c1-28-21-9-8-19(14-22(21)29-2)30-16-24(17-6-4-3-5-7-17)15-20(24)23(27)26-18-10-12-25-13-11-18/h3-14,20H,15-16H2,1-2H3,(H,25,26,27)/t20-,24+/m0/s1
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1.43E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029065
PNG
(CHEMBL3343260)
Show SMILES COc1ccc(OCC2(CC2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)
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>2.00E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029065
PNG
(CHEMBL3343260)
Show SMILES COc1ccc(OCC2(CC2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)
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>2.00E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029045
PNG
(CHEMBL3343243)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)NC2CCCCC2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H31NO4/c1-28-22-14-13-20(15-23(22)29-2)30-17-25(18-9-5-3-6-10-18)16-21(25)24(27)26-19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19,21H,4,7-8,11-12,16-17H2,1-2H3,(H,26,27)/t21-,25+/m0/s1
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2.99E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029056
PNG
(CHEMBL3343251)
Show SMILES COCc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H26N2O4/c1-29-16-18-11-12-20(14-22(18)30-2)31-17-25(19-8-4-3-5-9-19)15-21(25)24(28)27-23-10-6-7-13-26-23/h3-14,21H,15-17H2,1-2H3,(H,26,27,28)/t21-,25+/m0/s1
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3.34E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029043
PNG
(CHEMBL3343241)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2CNc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H27NO3/c1-27-23-14-13-22(15-24(23)28-2)29-18-25(19-9-5-3-6-10-19)16-20(25)17-26-21-11-7-4-8-12-21/h3-15,20,26H,16-18H2,1-2H3/t20-,25+/m0/s1
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4.16E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029043
PNG
(CHEMBL3343241)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2CNc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H27NO3/c1-27-23-14-13-22(15-24(23)28-2)29-18-25(19-9-5-3-6-10-19)16-20(25)17-26-21-11-7-4-8-12-21/h3-15,20,26H,16-18H2,1-2H3/t20-,25+/m0/s1
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4.23E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029046
PNG
(CHEMBL3343244)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)N(C)c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C26H27NO4/c1-27(20-12-8-5-9-13-20)25(28)22-17-26(22,19-10-6-4-7-11-19)18-31-21-14-15-23(29-2)24(16-21)30-3/h4-16,22H,17-18H2,1-3H3/t22-,26+/m0/s1
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4.68E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029053
PNG
(CHEMBL3341773)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)cc1
Show InChI InChI=1S/C23H22N2O3/c1-27-18-10-12-19(13-11-18)28-16-23(17-7-3-2-4-8-17)15-20(23)22(26)25-21-9-5-6-14-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1
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5.54E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029049
PNG
(CHEMBL3343247)
Show SMILES O=C(Nc1ccccn1)[C@@H]1C[C@@]1(COc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c25-21(24-20-13-7-8-14-23-20)19-15-22(19,17-9-3-1-4-10-17)16-26-18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,23,24,25)/t19-,22+/m0/s1
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6.84E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029046
PNG
(CHEMBL3343244)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)N(C)c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C26H27NO4/c1-27(20-12-8-5-9-13-20)25(28)22-17-26(22,19-10-6-4-7-11-19)18-31-21-14-15-23(29-2)24(16-21)30-3/h4-16,22H,17-18H2,1-3H3/t22-,26+/m0/s1
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7.54E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029045
PNG
(CHEMBL3343243)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)NC2CCCCC2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H31NO4/c1-28-22-14-13-20(15-23(22)29-2)30-17-25(18-9-5-3-6-10-18)16-21(25)24(27)26-19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19,21H,4,7-8,11-12,16-17H2,1-2H3,(H,26,27)/t21-,25+/m0/s1
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7.85E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029041
PNG
(CHEMBL3343239)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H24O4/c1-27-22-14-13-20(15-23(22)28-2)29-17-25(19-11-7-4-8-12-19)16-21(25)24(26)18-9-5-3-6-10-18/h3-15,21H,16-17H2,1-2H3/t21-,25+/m0/s1
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PubMed
8.65E+3n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029042
PNG
(CHEMBL3343240)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Cc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C26H26O4/c1-28-24-14-13-21(16-25(24)29-2)30-18-26(20-11-7-4-8-12-20)17-22(26)23(27)15-19-9-5-3-6-10-19/h3-14,16,22H,15,17-18H2,1-2H3/t22-,26+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50029047
PNG
(CHEMBL3343245)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)N2CCCc3ccccc23)c2ccccc2)cc1OC
Show InChI InChI=1S/C28H29NO4/c1-31-25-15-14-22(17-26(25)32-2)33-19-28(21-11-4-3-5-12-21)18-23(28)27(30)29-16-8-10-20-9-6-7-13-24(20)29/h3-7,9,11-15,17,23H,8,10,16,18-19H2,1-2H3/t23-,28+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029041
PNG
(CHEMBL3343239)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C25H24O4/c1-27-22-14-13-20(15-23(22)28-2)29-17-25(19-11-7-4-8-12-19)16-21(25)24(26)18-9-5-3-6-10-18/h3-15,21H,16-17H2,1-2H3/t21-,25+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029042
PNG
(CHEMBL3343240)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Cc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C26H26O4/c1-28-24-14-13-21(16-25(24)29-2)30-18-26(20-11-7-4-8-12-20)17-22(26)23(27)15-19-9-5-3-6-10-19/h3-14,16,22H,15,17-18H2,1-2H3/t22-,26+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029047
PNG
(CHEMBL3343245)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)N2CCCc3ccccc23)c2ccccc2)cc1OC
Show InChI InChI=1S/C28H29NO4/c1-31-25-15-14-22(17-26(25)32-2)33-19-28(21-11-4-3-5-12-21)18-23(28)27(30)29-16-8-10-20-9-6-7-13-24(20)29/h3-7,9,11-15,17,23H,8,10,16,18-19H2,1-2H3/t23-,28+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50029052
PNG
(CHEMBL3343248)
Show SMILES COc1ccc(cc1OC)[C@]1(COc2ccccc2)C[C@H]1C(=O)Nc1ccccn1
Show InChI InChI=1S/C24H24N2O4/c1-28-20-12-11-17(14-21(20)29-2)24(16-30-18-8-4-3-5-9-18)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair
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