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Compile Data Set for Download or QSAR

Found 8743 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2'   
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))
BDBM50444605
PNG
(CHEMBL3099899)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(Cl)cc(Cl)c2)cc1OC
Show InChI InChI=1S/C26H21Cl2N3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)
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0.0700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6620-4 (2013)

More data for this
Ligand-Target Pair
Orexin receptor type 2 (OX2)


(Rattus norvegicus (Rat))
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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0.0776n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat OX2R expressed in CHO cells by FLIPR calcium based functional assay


Bioorg Med Chem Lett 21: 5562-7 (2011)

More data for this
Ligand-Target Pair
Orexin receptor type 2 (OX2)


(Rattus norvegicus (Rat))
BDBM104700
PNG
(US8569311, 1-10)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ccccc1
Show InChI InChI=1S/C26H27FN2O2/c1-18-8-12-23(21-6-4-3-5-7-21)24(14-18)26(30)29-16-20(10-9-19(29)2)17-31-25-13-11-22(27)15-28-25/h3-8,11-15,19-20H,9-10,16-17H2,1-2H3/t19-,20-/m1/s1
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US Patent
0.0800n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50374443
PNG
(CHEMBL272715)
Show SMILES Cc1ccc2n(C)c(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)nc2c1
Show InChI InChI=1S/C26H27N5O2S/c1-18-11-12-21-20(16-18)28-26(29(21)2)34-17-24(32)31-15-7-10-23(31)25(33)27-19-8-3-4-9-22(19)30-13-5-6-14-30/h3-6,8-9,11-14,16,23H,7,10,15,17H2,1-2H3,(H,27,33)/t23-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


Bioorg Med Chem Lett 18: 1425-30 (2008)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205245
PNG
(3-ethyl-2-{[(3r,6r)-6- methyl-1-{[2-(2h-1,2,3- tri...)
Show SMILES CCc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205260
PNG
(US9546152, example 95)
Show SMILES CSc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50374442
PNG
(CHEMBL255763)
Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1
Show InChI InChI=1S/C26H27N5O2S/c1-18-11-12-20-23(16-18)29(2)26(28-20)34-17-24(32)31-15-7-10-22(31)25(33)27-19-8-3-4-9-21(19)30-13-5-6-14-30/h3-6,8-9,11-14,16,22H,7,10,15,17H2,1-2H3,(H,27,33)/t22-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


Bioorg Med Chem Lett 18: 1425-30 (2008)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50148575
PNG
(CHEMBL3770503)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1/C24H27FN4O2/c1-16-4-9-23(29-26-10-11-27-29)21(12-16)24(30)28-14-19(6-5-18(28)3)15-31-20-7-8-22(25)17(2)13-20/h4,7-13,18-19H,5-6,14-15H2,1-3H3/t18-,19-/s2
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0.100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to OX2R (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205119
PNG
(2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-c1nccs1)Oc1nccc(C#N)c1C
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205137
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1nccs1)Oc1nccc(C#N)c1C
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205108
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (1,3-thiazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-c1nccs1)Oc1nccc(C#N)c1C
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM120778
PNG
(US8710076, F-2)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c1-17-10-11-19(31-23-20-7-3-2-6-18(20)12-13-25-23)16-28(17)24(30)21-8-4-5-9-22(21)29-26-14-15-27-29/h2-9,12-15,17,19H,10-11,16H2,1H3/t17-,19-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50441372
PNG
(CHEMBL2435400)
Show SMILES COc1ccc2[nH]cc(CN3CCCC4(CCN(CC4)c4nc(C)cc(C)n4)C3=O)c2c1
Show InChI InChI=1S/C25H31N5O2/c1-17-13-18(2)28-24(27-17)29-11-8-25(9-12-29)7-4-10-30(23(25)31)16-19-15-26-22-6-5-20(32-3)14-21(19)22/h5-6,13-15,26H,4,7-12,16H2,1-3H3
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0.166n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...


J Med Chem 56: 7590-607 (2013)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50318697
PNG
(6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1
Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


J Med Chem 53: 5320-32 (2010)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205244
PNG
(US9546152, example 92)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc(C#N)c1C1CC1
PDB

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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50374441
PNG
(CHEMBL429848)
Show SMILES Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


Bioorg Med Chem Lett 18: 1425-30 (2008)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50374444
PNG
(CHEMBL401653)
Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)[nH]c2c1
Show InChI InChI=1S/C25H25N5O2S/c1-17-10-11-18-20(15-17)28-25(27-18)33-16-23(31)30-14-6-9-22(30)24(32)26-19-7-2-3-8-21(19)29-12-4-5-13-29/h2-5,7-8,10-13,15,22H,6,9,14,16H2,1H3,(H,26,32)(H,27,28)/t22-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


Bioorg Med Chem Lett 18: 1425-30 (2008)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205103
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(C)c1-n1nccn1)Oc1nccc(C#N)c1C
PDB

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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205104
PNG
(2-{[(3r,6r)-1-{[2-methoxy-6- (2h-1,2,3-triazol-2- ...)
Show SMILES COc1cccc(c1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C)-n1nccn1
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205105
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-methyl-6-(2h-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(C)cccc1-n1nccn1)Oc1nccc(C#N)c1C
PDB

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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205124
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1cscn1)Oc1nccc(C#N)c1C
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205125
PNG
(2-{[(3r,6r)-1-{[4-fluoro-2- (1,3-thiazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1nccs1)Oc1nccc(C#N)c1C
PDB

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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM104689
PNG
(US8569311, A-9)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24FN5O2/c1-15-3-7-20(28-25-9-10-26-28)19(11-15)22(29)27-13-17(5-4-16(27)2)14-30-21-8-6-18(23)12-24-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor in cell membrane by in vitro radioligand binding assay


Bioorg Med Chem Lett 24: 1784-9 (2014)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50012608
PNG
(CHEMBL3260828)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)csc2n1
Show InChI InChI=1S/C23H25N7OS/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 2079-85 (2014)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50318697
PNG
(6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1
Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 2079-85 (2014)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50084394
PNG
(CHEMBL3426145)
Show SMILES CSc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1/C21H23N5O2S/c1-15-7-8-16(28-20-13-17(29-2)9-10-22-20)14-25(15)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-6,9-13,15-16H,7-8,14H2,1-2H3/t15-,16-/s2
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 25: 2488-92 (2015)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50084384
PNG
(CHEMBL3426135)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C(F)(F)F
Show InChI InChI=1/C21H20F3N5O2/c1-14-6-7-16(31-19-12-15(8-9-25-19)21(22,23)24)13-28(14)20(30)17-4-2-3-5-18(17)29-26-10-11-27-29/h2-5,8-12,14,16H,6-7,13H2,1H3/t14-,16-/s2
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 25: 2488-92 (2015)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50314676
PNG
((4-(6-fluoroquinazolin-2-yl)-1,4-diazepan-1-yl)(5-...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2cc(F)ccc2n1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O/c1-16-3-6-21(31-26-7-8-27-31)19(13-16)22(32)29-9-2-10-30(12-11-29)23-25-15-17-14-18(24)4-5-20(17)28-23/h3-8,13-15H,2,9-12H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay


Bioorg Med Chem Lett 20: 2311-5 (2010)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM206334
PNG
(2-({(3r,6r)-1-[(2- cyclobutylphenyl)carbonyl]- 6-m...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2 (OX2)


(Rattus norvegicus (Rat))
BDBM104689
PNG
(US8569311, A-9)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24FN5O2/c1-15-3-7-20(28-25-9-10-26-28)19(11-15)22(29)27-13-17(5-4-16(27)2)14-30-21-8-6-18(23)12-24-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1
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US Patent
0.240n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50060938
PNG
(CHEMBL3394847)
Show SMILES COc1cnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c2ccccc12
Show InChI InChI=1/C25H25N5O3/c1-17-11-12-18(33-24-20-8-4-3-7-19(20)23(32-2)15-26-24)16-29(17)25(31)21-9-5-6-10-22(21)30-27-13-14-28-30/h3-10,13-15,17-18H,11-12,16H2,1-2H3/t17-,18-/s2
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0.240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R by radioligand displacement assay


Bioorg Med Chem Lett 25: 444-50 (2015)

More data for this
Ligand-Target Pair
Orexin receptor type 2 (OX2)


(Rattus norvegicus (Rat))
BDBM104697
PNG
(US8569311, 1-1)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1nccs1
Show InChI InChI=1S/C23H24FN3O2S/c1-15-3-7-19(22-25-9-10-30-22)20(11-15)23(28)27-13-17(5-4-16(27)2)14-29-21-8-6-18(24)12-26-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50318698
PNG
(6,7-Fluoro-2-{(5R)-5-Methyl-4-[2-(2H-1,2,3-triazol...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1cnc2cc(F)c(F)cc2n1
Show InChI InChI=1S/C23H21F2N7O/c1-15-6-9-30(22-14-26-19-12-17(24)18(25)13-20(19)29-22)10-11-31(15)23(33)16-4-2-3-5-21(16)32-27-7-8-28-32/h2-5,7-8,12-15H,6,9-11H2,1H3/t15-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


J Med Chem 53: 5320-32 (2010)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50419142
PNG
(CHEMBL1830963)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H25FN2O2/c27-21-15-13-20(14-16-21)25(30)28-18-22-10-6-7-17-29(22)26(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H,28,30)/t22-/m0/s1
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay


Bioorg Med Chem Lett 21: 5562-7 (2011)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM294359
PNG
(Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N
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0.260n/an/an/an/an/an/an/an/a



Avenida de la Industria





Bioorg Med Chem Lett 14: 6095-9 (2004)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM294352
PNG
(US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N
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0.260n/an/an/an/an/an/an/an/a



Avenida de la Industria





Bioorg Med Chem Lett 14: 6095-9 (2004)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50318699
PNG
(2-{(5R)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzo...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2CCCCc2n1
Show InChI InChI=1S/C23H27N7O/c1-17-10-13-28(23-24-16-18-6-2-4-8-20(18)27-23)14-15-29(17)22(31)19-7-3-5-9-21(19)30-25-11-12-26-30/h3,5,7,9,11-12,16-17H,2,4,6,8,10,13-15H2,1H3/t17-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


J Med Chem 53: 5320-32 (2010)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205180
PNG
(US9546152, example 74)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Oc1nccc(C#N)c1C
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to OX2R (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205349
PNG
(US9546152, example 97)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)nccc1C#N
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205352
PNG
(2-{[(3r,6r)-1-{[4-fluoro-2- (2h-1,2,3-triazol-2- y...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)nccc1C#N
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205898
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (2h-1,2,3-triazol-2- y...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)nccc1C#N
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205986
PNG
(3-methoxy-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM206340
PNG
(2-({(3r,6r)-1-[(5-fluoro-2- pyrimidin-2- ylphenyl)...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50374448
PNG
(CHEMBL429130)
Show SMILES Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc12
Show InChI InChI=1S/C25H25N5O2S/c1-28-20-11-4-2-9-18(20)27-25(28)33-17-23(31)30-16-8-13-22(30)24(32)26-19-10-3-5-12-21(19)29-14-6-7-15-29/h2-7,9-12,14-15,22H,8,13,16-17H2,1H3,(H,26,32)/t22-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


Bioorg Med Chem Lett 18: 1425-30 (2008)

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



Janssen Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to orexin receptor 2 (unknown origin)


Bioorg Med Chem Lett 23: 4761-9 (2013)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205101
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (2h-1,2,3-triazol-2- y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-n1nccn1)Oc1nccc(C#N)c1C
PDB

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antibodypedia
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PC cid
PC sid
UniChem
0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205112
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (1,3-thiazol-4- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-c1cscn1)Oc1nccc(C#N)c1C
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UniChem
0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205118
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-oxazol-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncco1)Oc1nccc(C#N)c1C
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205126
PNG
(2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2-yl)pyri...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)cnc1-c1nccs1)Oc1nccc(C#N)c1C
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent




Citation and Details
More data for this
Ligand-Target Pair
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