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Patent code US8569311

Compile Data Set for Download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Orexin receptor type 2


(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 |r|
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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 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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(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 |r|
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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 0.240n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(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 |r|
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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104692
PNG
(US8569311, E-5)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r|
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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 0.310n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104701
PNG
(US8569311, 1-15)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ccccn1 |r|
Show InChI InChI=1S/C25H26FN3O2/c1-17-6-10-21(23-5-3-4-12-27-23)22(13-17)25(30)29-15-19(8-7-18(29)2)16-31-24-11-9-20(26)14-28-24/h3-6,9-14,18-19H,7-8,15-16H2,1-2H3/t18-,19-/m1/s1
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 0.350n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104698
PNG
(US8569311, 1-4)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22FN5O2/c1-15-6-7-16(14-29-20-9-8-17(22)12-23-20)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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 0.370n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104703
PNG
(US8569311, 1-21)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H25FN4O2/c1-15-3-7-20(18-10-26-27-11-18)21(9-15)23(29)28-13-17(5-4-16(28)2)14-30-22-8-6-19(24)12-25-22/h3,6-12,16-17H,4-5,13-14H2,1-2H3,(H,26,27)/t16-,17-/m1/s1
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 0.480n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104699
PNG
(US8569311, 1-8)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H21F2N5O2/c1-14-2-3-15(13-30-20-7-5-17(23)11-24-20)12-27(14)21(29)18-10-16(22)4-6-19(18)28-25-8-9-26-28/h4-11,14-15H,2-3,12-13H2,1H3/t14-,15-/m1/s1
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 0.5n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104702
PNG
(US8569311, 1-19)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H22F2N4O2/c1-15-3-4-16(14-31-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3/t15-,16-/m1/s1
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Merch Sharp & Dohme Corp.

US Patent


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

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104690
PNG
(US8569311, B-3)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1cnccn1 |r|
Show InChI InChI=1S/C24H25FN4O2/c1-16-3-7-20(22-13-26-9-10-27-22)21(11-16)24(30)29-14-18(5-4-17(29)2)15-31-23-8-6-19(25)12-28-23/h3,6-13,17-18H,4-5,14-15H2,1-2H3/t17-,18-/m1/s1
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 0.540n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104691
PNG
(US8569311, C-4)
Show SMILES C[C@@H]1CC[C@@H](COc2cccc(C)n2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H25N5O2/c1-16-6-5-9-21(25-16)29-15-18-11-10-17(2)26(14-18)22(28)19-7-3-4-8-20(19)27-23-12-13-24-27/h3-9,12-13,17-18H,10-11,14-15H2,1-2H3/t17-,18-/m1/s1
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 0.670n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104706
PNG
(US8569311, 1-28)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H23FN4O2/c1-16-7-8-17(15-30-21-10-9-18(24)13-27-21)14-28(16)23(29)20-6-3-2-5-19(20)22-25-11-4-12-26-22/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1
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 0.670n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104707
PNG
(US8569311, 1-34)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1c(F)cccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H22F2N4O2/c1-15-6-7-16(14-31-20-9-8-17(24)12-28-20)13-29(15)23(30)21-18(4-2-5-19(21)25)22-26-10-3-11-27-22/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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 0.680n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(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 |r|
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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 0.710n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(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 |r|
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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Merch Sharp & Dohme Corp.

US Patent


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

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104708
PNG
(US8569311, 1-37)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1cccn1 |r|
Show InChI InChI=1S/C22H23FN4O2/c1-16-7-8-17(15-29-21-10-9-18(23)13-24-21)14-26(16)22(28)19-5-2-3-6-20(19)27-12-4-11-25-27/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1
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 1.5n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104704
PNG
(US8569311, 1-24)
Show SMILES CCOc1ccccc1C(=O)N1C[C@H](COc2ccc(F)cn2)CC[C@H]1C |r|
Show InChI InChI=1S/C21H25FN2O3/c1-3-26-19-7-5-4-6-18(19)21(25)24-13-16(9-8-15(24)2)14-27-20-11-10-17(22)12-23-20/h4-7,10-12,15-16H,3,8-9,13-14H2,1-2H3/t15-,16-/m1/s1
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 1.70n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104694
PNG
(US8569311, G-1)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H24FN5O3/c1-15-2-3-17(14-31-21-7-5-18(23)11-24-21)12-27(15)22(30)19-10-16(13-29)4-6-20(19)28-25-8-9-26-28/h4-11,15,17,29H,2-3,12-14H2,1H3/t15-,17-/m1/s1
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 1.70n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(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 |r|
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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 1.80n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104709
PNG
(US8569311, 1-38)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ncccc1-c1ccccc1 |r|
Show InChI InChI=1S/C24H24FN3O2/c1-17-9-10-18(16-30-22-12-11-20(25)14-27-22)15-28(17)24(29)23-21(8-5-13-26-23)19-6-3-2-4-7-19/h2-8,11-14,17-18H,9-10,15-16H2,1H3/t17-,18-/m1/s1
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 1.90n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104696
PNG
(US8569311, I-7)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H25FN4O3/c1-16-3-4-18(15-32-22-8-6-19(25)12-28-22)13-29(16)24(31)21-11-17(14-30)5-7-20(21)23-26-9-2-10-27-23/h2,5-12,16,18,30H,3-4,13-15H2,1H3/t16-,18-/m1/s1
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 2n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104692
PNG
(US8569311, E-5)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r|
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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 2.90n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104701
PNG
(US8569311, 1-15)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ccccn1 |r|
Show InChI InChI=1S/C25H26FN3O2/c1-17-6-10-21(23-5-3-4-12-27-23)22(13-17)25(30)29-15-19(8-7-18(29)2)16-31-24-11-9-20(26)14-28-24/h3-6,9-14,18-19H,7-8,15-16H2,1-2H3/t18-,19-/m1/s1
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 3.20n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104690
PNG
(US8569311, B-3)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1cnccn1 |r|
Show InChI InChI=1S/C24H25FN4O2/c1-16-3-7-20(22-13-26-9-10-27-22)21(11-16)24(30)29-14-18(5-4-17(29)2)15-31-23-8-6-19(25)12-28-23/h3,6-13,17-18H,4-5,14-15H2,1-2H3/t17-,18-/m1/s1
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 3.30n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104710
PNG
(US8569311, 1-42)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(Br)nc2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22BrN5O2/c1-15-6-7-16(14-29-17-8-9-20(22)23-12-17)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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 3.80n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104699
PNG
(US8569311, 1-8)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H21F2N5O2/c1-14-2-3-15(13-30-20-7-5-17(23)11-24-20)12-27(14)21(29)18-10-16(22)4-6-19(18)28-25-8-9-26-28/h4-11,14-15H,2-3,12-13H2,1H3/t14-,15-/m1/s1
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 6.80n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104703
PNG
(US8569311, 1-21)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H25FN4O2/c1-15-3-7-20(18-10-26-27-11-18)21(9-15)23(29)28-13-17(5-4-16(28)2)14-30-22-8-6-19(24)12-25-22/h3,6-12,16-17H,4-5,13-14H2,1-2H3,(H,26,27)/t16-,17-/m1/s1
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 7.10n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104707
PNG
(US8569311, 1-34)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1c(F)cccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H22F2N4O2/c1-15-6-7-16(14-31-20-9-8-17(24)12-28-20)13-29(15)23(30)21-18(4-2-5-19(21)25)22-26-10-3-11-27-22/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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 8.20n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104702
PNG
(US8569311, 1-19)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H22F2N4O2/c1-15-3-4-16(14-31-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3/t15-,16-/m1/s1
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 10n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104705
PNG
(US8569311, 1-27)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C21H22FN3O2/c1-14-5-6-15(13-27-19-8-7-17(22)11-24-19)12-25(14)21(26)18-4-2-3-16-9-10-23-20(16)18/h2-4,7-11,14-15,23H,5-6,12-13H2,1H3/t14-,15-/m1/s1
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 10n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104698
PNG
(US8569311, 1-4)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22FN5O2/c1-15-6-7-16(14-29-20-9-8-17(22)12-23-20)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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 12n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104694
PNG
(US8569311, G-1)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H24FN5O3/c1-15-2-3-17(14-31-21-7-5-18(23)11-24-21)12-27(15)22(30)19-10-16(13-29)4-6-20(19)28-25-8-9-26-28/h4-11,15,17,29H,2-3,12-14H2,1H3/t15-,17-/m1/s1
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 14n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104706
PNG
(US8569311, 1-28)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H23FN4O2/c1-16-7-8-17(15-30-21-10-9-18(24)13-27-21)14-28(16)23(29)20-6-3-2-5-19(20)22-25-11-4-12-26-22/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1
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 17n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104691
PNG
(US8569311, C-4)
Show SMILES C[C@@H]1CC[C@@H](COc2cccc(C)n2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H25N5O2/c1-16-6-5-9-21(25-16)29-15-18-11-10-17(2)26(14-18)22(28)19-7-3-4-8-20(19)27-23-12-13-24-27/h3-9,12-13,17-18H,10-11,14-15H2,1-2H3/t17-,18-/m1/s1
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 22n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104711
PNG
(US8569311, 1-43)
Show SMILES C[C@@H]1CC[C@@H](COc2ccnc(Cl)c2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22ClN5O2/c1-15-6-7-16(14-29-17-8-9-23-20(22)12-17)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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 22n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104688
PNG
(US8569311, 2-1)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC(COc2ccc(F)nc2)C1)-n1nccn1
Show InChI InChI=1S/C21H22FN5O2/c1-15-4-6-19(27-24-8-9-25-27)18(11-15)21(28)26-10-2-3-16(13-26)14-29-17-5-7-20(22)23-12-17/h4-9,11-12,16H,2-3,10,13-14H2,1H3
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 29n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104696
PNG
(US8569311, I-7)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H25FN4O3/c1-16-3-4-18(15-32-22-8-6-19(25)12-28-22)13-29(16)24(31)21-11-17(14-30)5-7-20(21)23-26-9-2-10-27-23/h2,5-12,16,18,30H,3-4,13-15H2,1H3/t16-,18-/m1/s1
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 30n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104704
PNG
(US8569311, 1-24)
Show SMILES CCOc1ccccc1C(=O)N1C[C@H](COc2ccc(F)cn2)CC[C@H]1C |r|
Show InChI InChI=1S/C21H25FN2O3/c1-3-26-19-7-5-4-6-18(19)21(25)24-13-16(9-8-15(24)2)14-27-20-11-10-17(22)12-23-20/h4-7,10-12,15-16H,3,8-9,13-14H2,1-2H3/t15-,16-/m1/s1
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 36n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104695
PNG
(US8569311, H-4)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(ccc1-c1ncccn1)C(O)=O |r|
Show InChI InChI=1S/C24H23FN4O4/c1-15-3-4-16(14-33-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24(31)32)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3,(H,31,32)/t15-,16-/m1/s1
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 37n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104708
PNG
(US8569311, 1-37)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1cccn1 |r|
Show InChI InChI=1S/C22H23FN4O2/c1-16-7-8-17(15-29-21-10-9-18(23)13-24-21)14-26(16)22(28)19-5-2-3-6-20(19)27-12-4-11-25-27/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1
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 55n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104710
PNG
(US8569311, 1-42)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(Br)nc2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22BrN5O2/c1-15-6-7-16(14-29-17-8-9-20(22)23-12-17)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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 64n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104705
PNG
(US8569311, 1-27)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C21H22FN3O2/c1-14-5-6-15(13-27-19-8-7-17(22)11-24-19)12-25(14)21(26)18-4-2-3-16-9-10-23-20(16)18/h2-4,7-11,14-15,23H,5-6,12-13H2,1H3/t14-,15-/m1/s1
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 75n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104695
PNG
(US8569311, H-4)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(ccc1-c1ncccn1)C(O)=O |r|
Show InChI InChI=1S/C24H23FN4O4/c1-15-3-4-16(14-33-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24(31)32)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3,(H,31,32)/t15-,16-/m1/s1
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 84n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104709
PNG
(US8569311, 1-38)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ncccc1-c1ccccc1 |r|
Show InChI InChI=1S/C24H24FN3O2/c1-17-9-10-18(16-30-22-12-11-20(25)14-27-22)15-28(17)24(29)23-21(8-5-13-26-23)19-6-3-2-4-7-19/h2-8,11-14,17-18H,9-10,15-16H2,1H3/t17-,18-/m1/s1
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 86n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104688
PNG
(US8569311, 2-1)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC(COc2ccc(F)nc2)C1)-n1nccn1
Show InChI InChI=1S/C21H22FN5O2/c1-15-4-6-19(27-24-8-9-25-27)18(11-15)21(28)26-10-2-3-16(13-26)14-29-17-5-7-20(22)23-12-17/h4-9,11-12,16H,2-3,10,13-14H2,1H3
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 96n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104711
PNG
(US8569311, 1-43)
Show SMILES C[C@@H]1CC[C@@H](COc2ccnc(Cl)c2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22ClN5O2/c1-15-6-7-16(14-29-17-8-9-23-20(22)12-17)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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 140n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM104693
PNG
(US8569311, F-4)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(ccc1-n1nccn1)C(O)=O |r|
Show InChI InChI=1S/C22H22FN5O4/c1-14-2-3-15(13-32-20-7-5-17(23)11-24-20)12-27(14)21(29)18-10-16(22(30)31)4-6-19(18)28-25-8-9-26-28/h4-11,14-15H,2-3,12-13H2,1H3,(H,30,31)/t14-,15-/m1/s1
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 260n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))		BDBM104693
PNG
(US8569311, F-4)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(ccc1-n1nccn1)C(O)=O |r|
Show InChI InChI=1S/C22H22FN5O4/c1-14-2-3-15(13-32-20-7-5-17(23)11-24-20)12-27(14)21(29)18-10-16(22(30)31)4-6-19(18)28-25-8-9-26-28/h4-11,14-15H,2-3,12-13H2,1H3,(H,30,31)/t14-,15-/m1/s1
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 410n/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.

US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%