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Compile Data Set for Download or QSAR

Found 7123 hits with Last Name = 'boss' and Initial = 'c'   
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 1


(Homo sapiens (Human))
BDBM50108620
PNG
(CHEMBL3597953)
Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(s1)-c1ccccc1
Show InChI InChI=1S/C24H25FN2O2S/c1-17-26-22(23(30-17)18-7-3-2-4-8-18)24(28)27-15-6-5-9-20(27)14-16-29-21-12-10-19(25)11-13-21/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3/t20-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at orexin-1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM104692
PNG
(US8569311, E-5)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at orexin-2 receptor (unknown origin)


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50028059
PNG
(CHEMBL3338866)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC
Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)
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0.5n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1[3H]-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human orexin-2...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50232703
PNG
((S)-1-(2-(1H-benzo[d]imidazol-2-ylthio)acetyl)-N-(...)
Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1
Show InChI InChI=1S/C24H23N5O2S/c30-22(16-32-24-26-17-8-1-2-9-18(17)27-24)29-15-7-12-21(29)23(31)25-19-10-3-4-11-20(19)28-13-5-6-14-28/h1-6,8-11,13-14,21H,7,12,15-16H2,(H,25,31)(H,26,27)/t21-/m0/s1
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1n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50108620
PNG
(CHEMBL3597953)
Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(s1)-c1ccccc1
Show InChI InChI=1S/C24H25FN2O2S/c1-17-26-22(23(30-17)18-7-3-2-4-8-18)24(28)27-15-6-5-9-20(27)14-16-29-21-12-10-19(25)11-13-21/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3/t20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at orexin-2 receptor (unknown origin)


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM104692
PNG
(US8569311, E-5)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at orexin-1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50108618
PNG
(CHEMBL3597955)
Show SMILES CCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1S/C22H23FN2O2S/c1-3-25(14-7-15-27-19-12-10-18(23)11-13-19)22(26)20-21(28-16(2)24-20)17-8-5-4-6-9-17/h4-6,8-13H,3,7,14-15H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at orexin-2 receptor (unknown origin)


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50108626
PNG
(CHEMBL3597968)
Show SMILES FC(F)(F)c1cnc(N[C@@H]2CC3CCC2N(C3)C(=O)c2ccccc2-c2ncccn2)cn1
Show InChI InChI=1S/C23H21F3N6O/c24-23(25,26)19-11-30-20(12-29-19)31-17-10-14-6-7-18(17)32(13-14)22(33)16-5-2-1-4-15(16)21-27-8-3-9-28-21/h1-5,8-9,11-12,14,17-18H,6-7,10,13H2,(H,30,31)/t14?,17-,18?/m1/s1
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4n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CFiQ cells assessed as inhibition of orexin-A-induced Ca2+ release preincubated for 15 to...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50108627
PNG
(CHEMBL3597951)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25)
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4.5n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human orexin-2 receptor


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412863
PNG
(CHEMBL359632 | JNJ-10397049)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
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5.01n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412861
PNG
(CHEMBL185088)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20BrClN2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
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6.31n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50108618
PNG
(CHEMBL3597955)
Show SMILES CCN(CCCOc1ccc(F)cc1)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1S/C22H23FN2O2S/c1-3-25(14-7-15-27-19-12-10-18(23)11-13-19)22(26)20-21(28-16(2)24-20)17-8-5-4-6-9-17/h4-6,8-13H,3,7,14-15H2,1-2H3
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8n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at orexin-1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM175115
PNG
(US9115117, 17 | US9611251, 17)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C21H20ClF3N6O/c1-13-17(29-19-7-4-14(12-26-19)21(23,24)25)3-2-10-30(13)20(32)16-11-15(22)5-6-18(16)31-27-8-9-28-31/h4-9,11-13,17H,2-3,10H2,1H3,(H,26,29)/t13-,17+/m0/s1
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8n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CFiQ cells assessed as inhibition of orexin-A-induced Ca2+ release preincubated for 15 to...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM118454
PNG
(US8653263, 107 | US9586962, Example 107)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]EMPA from human orexin-2 receptor expressed in HEK293 cells after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50108624
PNG
(CHEMBL3597966)
Show SMILES Fc1ccc(OC[C@@H]2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2/t15-,17?,20?/m0/s1
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10n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CFiQ cells assessed as inhibition of orexin-A-induced Ca2+ release preincubated for 15 to...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50108625
PNG
(CHEMBL3597967)
Show SMILES Fc1ccc(O[C@@H]2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H18FN5O2/c21-14-5-6-19(22-11-14)28-18-10-13-9-17(18)25(12-13)20(27)15-3-1-2-4-16(15)26-23-7-8-24-26/h1-8,11,13,17-18H,9-10,12H2/t13?,17?,18-/m1/s1
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12n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CFiQ cells assessed as inhibition of orexin-A-induced Ca2+ release preincubated for 15 to...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50108624
PNG
(CHEMBL3597966)
Show SMILES Fc1ccc(OC[C@@H]2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2/t15-,17?,20?/m0/s1
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12n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in human PFSK-1 cells assessed as inhibition of orexin-B-induced Ca2+ release preincubated f...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM175203
PNG
(US9115117, 112 | US9611251, 112)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ccc(C)cc1-n1nccn1)Oc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-14-5-7-17(18(12-14)30-27-9-10-28-30)21(31)29-11-3-4-19(15(29)2)32-20-8-6-16(13-26-20)22(23,24)25/h5-10,12-13,15,19H,3-4,11H2,1-2H3/t15-,19+/m0/s1
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12n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CFiQ cells assessed as inhibition of orexin-A-induced Ca2+ release preincubated for 15 to...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50108623
PNG
(CHEMBL3597965)
Show SMILES FC(F)(F)c1cnc(N[C@@H]2CC3CCC2N3C(=O)c2ccccc2-c2ncccn2)cn1
Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)18-11-29-19(12-28-18)30-16-10-13-6-7-17(16)31(13)21(32)15-5-2-1-4-14(15)20-26-8-3-9-27-20/h1-5,8-9,11-13,16-17H,6-7,10H2,(H,29,30)/t13?,16-,17?/m1/s1
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19n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CFiQ cells assessed as inhibition of orexin-A-induced Ca2+ release preincubated for 15 to...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412862
PNG
(CHEMBL185136)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Cl2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
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19.9n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50108619
PNG
(CHEMBL3597954)
Show SMILES Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(s1)-c1ccccc1
Show InChI InChI=1S/C23H23FN2O2S/c1-16-25-21(22(29-16)18-7-3-2-4-8-18)23(27)26-13-5-6-17(14-26)15-28-20-11-9-19(24)10-12-20/h2-4,7-12,17H,5-6,13-15H2,1H3/t17-/m1/s1
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23n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at orexin-1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50232703
PNG
((S)-1-(2-(1H-benzo[d]imidazol-2-ylthio)acetyl)-N-(...)
Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1
Show InChI InChI=1S/C24H23N5O2S/c30-22(16-32-24-26-17-8-1-2-9-18(17)27-24)29-15-7-12-21(29)23(31)25-19-10-3-4-11-20(19)28-13-5-6-14-28/h1-6,8-11,13-14,21H,7,12,15-16H2,(H,25,31)(H,26,27)/t21-/m0/s1
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28n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412860
PNG
(CHEMBL185093)
Show SMILES Cc1cc(Br)ccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1
Show InChI InChI=1S/C20H23BrN2O3/c1-13-11-15(21)9-10-16(13)22-19(24)23-17-12-25-20(2,3)26-18(17)14-7-5-4-6-8-14/h4-11,17-18H,12H2,1-3H3,(H2,22,23,24)/t17-,18-/m0/s1
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39.8n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50108619
PNG
(CHEMBL3597954)
Show SMILES Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(s1)-c1ccccc1
Show InChI InChI=1S/C23H23FN2O2S/c1-16-25-21(22(29-16)18-7-3-2-4-8-18)23(27)26-13-5-6-17(14-26)15-28-20-11-9-19(24)10-12-20/h2-4,7-12,17H,5-6,13-15H2,1H3/t17-/m1/s1
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44n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at orexin-2 receptor (unknown origin)


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412857
PNG
(CHEMBL361716)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2cc(Cl)ccc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Cl2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-10-13(20)8-9-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
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63.1n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412859
PNG
(CHEMBL182473)
Show SMILES Cc1ccc(Cl)c(NC(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c1
Show InChI InChI=1S/C20H23ClN2O3/c1-13-9-10-15(21)16(11-13)22-19(24)23-17-12-25-20(2,3)26-18(17)14-7-5-4-6-8-14/h4-11,17-18H,12H2,1-3H3,(H2,22,23,24)/t17-,18-/m0/s1
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63.1n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412855
PNG
(CHEMBL185382)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccccc2I)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H21IN2O3/c1-19(2)24-12-16(17(25-19)13-8-4-3-5-9-13)22-18(23)21-15-11-7-6-10-14(15)20/h3-11,16-17H,12H2,1-2H3,(H2,21,22,23)/t16-,17-/m0/s1
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79.4n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412854
PNG
(CHEMBL185435)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccccc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H21ClN2O3/c1-19(2)24-12-16(17(25-19)13-8-4-3-5-9-13)22-18(23)21-15-11-7-6-10-14(15)20/h3-11,16-17H,12H2,1-2H3,(H2,21,22,23)/t16-,17-/m0/s1
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79.4n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412851
PNG
(CHEMBL363951)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccccc2C(F)(F)F)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C20H21F3N2O3/c1-19(2)27-12-16(17(28-19)13-8-4-3-5-9-13)25-18(26)24-15-11-7-6-10-14(15)20(21,22)23/h3-11,16-17H,12H2,1-2H3,(H2,24,25,26)/t16-,17-/m0/s1
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100n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412849
PNG
(CHEMBL363743)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccccc2Br)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H21BrN2O3/c1-19(2)24-12-16(17(25-19)13-8-4-3-5-9-13)22-18(23)21-15-11-7-6-10-14(15)20/h3-11,16-17H,12H2,1-2H3,(H2,21,22,23)/t16-,17-/m0/s1
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100n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412858
PNG
(CHEMBL183576)
Show SMILES Cc1ccc(NC(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c(C)c1
Show InChI InChI=1S/C21H26N2O3/c1-14-10-11-17(15(2)12-14)22-20(24)23-18-13-25-21(3,4)26-19(18)16-8-6-5-7-9-16/h5-12,18-19H,13H2,1-4H3,(H2,22,23,24)/t18-,19-/m0/s1
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126n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50232720
PNG
((R)-1-(2-(1H-benzo[d]imidazol-2-ylthio)acetyl)-N-(...)
Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@@H]1C(=O)Nc1ccccc1-n1cccc1
Show InChI InChI=1S/C24H23N5O2S/c30-22(16-32-24-26-17-8-1-2-9-18(17)27-24)29-15-7-12-21(29)23(31)25-19-10-3-4-11-20(19)28-13-5-6-14-28/h1-6,8-11,13-14,21H,7,12,15-16H2,(H,25,31)(H,26,27)/t21-/m1/s1
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131n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50108626
PNG
(CHEMBL3597968)
Show SMILES FC(F)(F)c1cnc(N[C@@H]2CC3CCC2N(C3)C(=O)c2ccccc2-c2ncccn2)cn1
Show InChI InChI=1S/C23H21F3N6O/c24-23(25,26)19-11-30-20(12-29-19)31-17-10-14-6-7-18(17)32(13-14)22(33)16-5-2-1-4-15(16)21-27-8-3-9-28-21/h1-5,8-9,11-12,14,17-18H,6-7,10,13H2,(H,30,31)/t14?,17-,18?/m1/s1
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189n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in human PFSK-1 cells assessed as inhibition of orexin-B-induced Ca2+ release preincubated f...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM175115
PNG
(US9115117, 17 | US9611251, 17)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C21H20ClF3N6O/c1-13-17(29-19-7-4-14(12-26-19)21(23,24)25)3-2-10-30(13)20(32)16-11-15(22)5-6-18(16)31-27-8-9-28-31/h4-9,11-13,17H,2-3,10H2,1H3,(H,26,29)/t13-,17+/m0/s1
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221n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in human PFSK-1 cells assessed as inhibition of orexin-B-induced Ca2+ release preincubated f...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412864
PNG
(CHEMBL184936)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H21BrN2O3/c1-19(2)24-12-16(17(25-19)13-6-4-3-5-7-13)22-18(23)21-15-10-8-14(20)9-11-15/h3-11,16-17H,12H2,1-2H3,(H2,21,22,23)/t16-,17-/m0/s1
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251n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50108627
PNG
(CHEMBL3597951)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25)
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393n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human orexin-1 receptor


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412853
PNG
(CHEMBL361748)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccccc2F)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H21FN2O3/c1-19(2)24-12-16(17(25-19)13-8-4-3-5-9-13)22-18(23)21-15-11-7-6-10-14(15)20/h3-11,16-17H,12H2,1-2H3,(H2,21,22,23)/t16-,17-/m0/s1
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398n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412866
PNG
(CHEMBL360377)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccccc2)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H22N2O3/c1-19(2)23-13-16(17(24-19)14-9-5-3-6-10-14)21-18(22)20-15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3,(H2,20,21,22)/t16-,17-/m0/s1
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501n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM175203
PNG
(US9115117, 112 | US9611251, 112)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ccc(C)cc1-n1nccn1)Oc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2/c1-14-5-7-17(18(12-14)30-27-9-10-28-30)21(31)29-11-3-4-19(15(29)2)32-20-8-6-16(13-26-20)22(23,24)25/h5-10,12-13,15,19H,3-4,11H2,1-2H3/t15-,19+/m0/s1
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562n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in human PFSK-1 cells assessed as inhibition of orexin-B-induced Ca2+ release preincubated f...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50108623
PNG
(CHEMBL3597965)
Show SMILES FC(F)(F)c1cnc(N[C@@H]2CC3CCC2N3C(=O)c2ccccc2-c2ncccn2)cn1
Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)18-11-29-19(12-28-18)30-16-10-13-6-7-17(16)31(13)21(32)15-5-2-1-4-14(15)20-26-8-3-9-27-20/h1-5,8-9,11-13,16-17H,6-7,10H2,(H,29,30)/t13?,16-,17?/m1/s1
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571n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in human PFSK-1 cells assessed as inhibition of orexin-B-induced Ca2+ release preincubated f...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50108625
PNG
(CHEMBL3597967)
Show SMILES Fc1ccc(O[C@@H]2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H18FN5O2/c21-14-5-6-19(22-11-14)28-18-10-13-9-17(18)25(12-13)20(27)15-3-1-2-4-16(15)26-23-7-8-24-26/h1-8,11,13,17-18H,9-10,12H2/t13?,17?,18-/m1/s1
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800n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in human PFSK-1 cells assessed as inhibition of orexin-B-induced Ca2+ release preincubated f...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412865
PNG
(CHEMBL185080)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2cccc(Br)c2)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H21BrN2O3/c1-19(2)24-12-16(17(25-19)13-7-4-3-5-8-13)22-18(23)21-15-10-6-9-14(20)11-15/h3-11,16-17H,12H2,1-2H3,(H2,21,22,23)/t16-,17-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118454
PNG
(US8653263, 107 | US9586962, Example 107)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
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1.28E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-(l-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-l-((S)-2-(5-phenyl-(l,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-l-yl)-methanone from h...


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50028059
PNG
(CHEMBL3338866)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC
Show InChI InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)
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1.58E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human orexin-1 receptor expressed in CHO cell membranes after 3 hrs by radioligand displacement assay


Bioorg Med Chem Lett 25: 2875-87 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.012
BindingDB Entry DOI: 10.7270/Q2BZ67T9
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50412849
PNG
(CHEMBL363743)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccccc2Br)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H21BrN2O3/c1-19(2)24-12-16(17(25-19)13-8-4-3-5-9-13)22-18(23)21-15-11-7-6-10-14(15)20/h3-11,16-17H,12H2,1-2H3,(H2,21,22,23)/t16-,17-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX2 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50232720
PNG
((R)-1-(2-(1H-benzo[d]imidazol-2-ylthio)acetyl)-N-(...)
Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@@H]1C(=O)Nc1ccccc1-n1cccc1
Show InChI InChI=1S/C24H23N5O2S/c30-22(16-32-24-26-17-8-1-2-9-18(17)27-24)29-15-7-12-21(29)23(31)25-19-10-3-4-11-20(19)28-13-5-6-14-28/h1-6,8-11,13-14,21H,7,12,15-16H2,(H,25,31)(H,26,27)/t21-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412852
PNG
(CHEMBL184384)
Show SMILES COc1ccccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1
Show InChI InChI=1S/C20H24N2O4/c1-20(2)25-13-16(18(26-20)14-9-5-4-6-10-14)22-19(23)21-15-11-7-8-12-17(15)24-3/h4-12,16,18H,13H2,1-3H3,(H2,21,22,23)/t16-,18-/m0/s1
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2.51E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50412850
PNG
(CHEMBL183786)
Show SMILES CC(C)c1ccccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)17-12-8-9-13-18(17)23-21(25)24-19-14-26-22(3,4)27-20(19)16-10-6-5-7-11-16/h5-13,15,19-20H,14H2,1-4H3,(H2,23,24,25)/t19-,20-/m0/s1
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2.51E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX1 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50412862
PNG
(CHEMBL185136)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Cl2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
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2.51E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX2 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50412863
PNG
(CHEMBL359632 | JNJ-10397049)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
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3.16E+3n/an/an/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to OX2 receptor


J Med Chem 52: 891-903 (2009)


Article DOI: 10.1021/jm801296d
BindingDB Entry DOI: 10.7270/Q2TM7B3D
More data for this
Ligand-Target Pair
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