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Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'futamura' and Initial = 'a'   
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
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50384416
PNG
(CHEMBL2111553 | CHEMBL291536 | SB-334867)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
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 670n/an/an/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Binding affinity to adenosine 2A receptor (unknown origin)

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50384416
PNG
(CHEMBL2111553 | CHEMBL291536 | SB-334867)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
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 1.20E+3n/an/an/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2c receptor (unknown origin)

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208487
PNG
(US9266870, 3)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3
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n/an/a 0.700n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260997
PNG
(CHEMBL4073607)
Show SMILES CCN([C@@H](C)Cn1cc(cn1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H24FN7O/c1-4-30(23(32)20-11-16(2)5-8-22(20)31-26-9-10-27-31)17(3)14-29-15-18(12-28-29)21-7-6-19(24)13-25-21/h5-13,15,17H,4,14H2,1-3H3/t17-/m0/s1
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n/an/a 0.767n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50543836
PNG
(CHEMBL4637711)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(cn1)-c1ccc(F)cc1)-n1nccn1 |r|
Show InChI InChI=1S/C24H23FN6O2/c1-17-3-8-22(31-26-9-10-27-31)21(13-17)24(32)30-11-2-12-33-23(30)16-29-15-19(14-28-29)18-4-6-20(25)7-5-18/h3-10,13-15,23H,2,11-12,16H2,1H3/t23-/m0/s1
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n/an/a 0.784n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208524
PNG
(US9266870, 40 | US9266870, 49)
Show SMILES CC1COC(Cn2cc(cn2)-c2ccc(F)cn2)N(C1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-22(32-27-7-8-28-32)20(9-16)24(33)31-12-17(2)15-34-23(31)14-30-13-18(10-29-30)21-5-4-19(25)11-26-21/h3-11,13,17,23H,12,14-15H2,1-2H3
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n/an/a 0.800n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208519
PNG
(US9266870, 35)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1cc(cn1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1S/C24H23FN6O2/c1-17-3-8-22(31-26-9-10-27-31)21(13-17)24(32)30-11-2-12-33-23(30)16-29-15-19(14-28-29)18-4-6-20(25)7-5-18/h3-10,13-15,23H,2,11-12,16H2,1H3
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n/an/a 0.800n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261002
PNG
(CHEMBL4059968)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H23FN8O/c1-4-29(22(32)19-13-15(2)5-10-20(19)31-24-11-12-25-31)16(3)14-30-27-21(26-28-30)17-6-8-18(23)9-7-17/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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n/an/a 0.820n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208511
PNG
(US9266870, 27)
Show SMILES Cc1ccc(c(n1)C(=O)N1CCOC1Cn1ccc(n1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1S/C22H20FN7O2/c1-15-2-7-19(30-24-9-10-25-30)21(26-15)22(31)29-12-13-32-20(29)14-28-11-8-18(27-28)16-3-5-17(23)6-4-16/h2-11,20H,12-14H2,1H3
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n/an/a 0.900n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM208525
PNG
(US9266870, 41)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cc1)-c1ncccn1
Show InChI InChI=1S/C26H24FN5O2/c1-18-4-9-21(25-28-11-2-12-29-25)22(16-18)26(33)32-13-3-15-34-24(32)17-31-14-10-23(30-31)19-5-7-20(27)8-6-19/h2,4-12,14,16,24H,3,13,15,17H2,1H3
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n/an/a 1n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM208519
PNG
(US9266870, 35)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1cc(cn1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1S/C24H23FN6O2/c1-17-3-8-22(31-26-9-10-27-31)21(13-17)24(32)30-11-2-12-33-23(30)16-29-15-19(14-28-29)18-4-6-20(25)7-5-18/h3-10,13-15,23H,2,11-12,16H2,1H3
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n/an/a 1n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208525
PNG
(US9266870, 41)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cc1)-c1ncccn1
Show InChI InChI=1S/C26H24FN5O2/c1-18-4-9-21(25-28-11-2-12-29-25)22(16-18)26(33)32-13-3-15-34-24(32)17-31-14-10-23(30-31)19-5-7-20(27)8-6-19/h2,4-12,14,16,24H,3,13,15,17H2,1H3
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n/an/a 1n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50543827
PNG
(CHEMBL4638046)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r|
Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3/t22-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260978
PNG
(CHEMBL4091475)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H23FN6O2/c1-4-29(23(31)19-13-15(2)5-10-20(19)30-25-11-12-26-30)16(3)14-21-27-22(32-28-21)17-6-8-18(24)9-7-17/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260979
PNG
(CHEMBL4069535)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22FN9O/c1-4-29(21(32)17-11-14(2)5-8-19(17)31-24-9-10-25-31)15(3)13-30-27-20(26-28-30)18-7-6-16(22)12-23-18/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208521
PNG
(US9266870, 37)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cc1noc(n1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-3-8-19(30-25-9-10-26-30)18(13-15)23(31)29-11-2-12-32-21(29)14-20-27-22(33-28-20)16-4-6-17(24)7-5-16/h3-10,13,21H,2,11-12,14H2,1H3
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n/an/a 1.10n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM208513
PNG
(US9266870, 29)
Show SMILES Cc1ccc(-c2ncccn2)c(n1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H23FN6O2/c1-17-4-9-20(24-27-11-2-12-28-24)23(29-17)25(33)32-13-3-15-34-22(32)16-31-14-10-21(30-31)18-5-7-19(26)8-6-18/h2,4-12,14,22H,3,13,15-16H2,1H3
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n/an/a 1.20n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM208487
PNG
(US9266870, 3)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3
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n/an/a 1.20n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260983
PNG
(CHEMBL4089060)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H22FN7O2/c1-4-29(22(31)17-11-14(2)5-8-19(17)30-25-9-10-26-30)15(3)12-20-27-21(32-28-20)18-7-6-16(23)13-24-18/h5-11,13,15H,4,12H2,1-3H3/t15-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260976
PNG
(CHEMBL4081186)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H20F2N6O2/c1-3-29(22(31)18-13-17(24)8-9-19(18)30-25-10-11-26-30)14(2)12-20-27-21(32-28-20)15-4-6-16(23)7-5-15/h4-11,13-14H,3,12H2,1-2H3/t14-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50543827
PNG
(CHEMBL4638046)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r|
Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3/t22-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260963
PNG
(CHEMBL4077821)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H21FN6O2/c1-3-28(22(30)18-6-4-5-7-19(18)29-24-12-13-25-29)15(2)14-20-26-21(31-27-20)16-8-10-17(23)11-9-16/h4-13,15H,3,14H2,1-2H3/t15-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM208524
PNG
(US9266870, 40 | US9266870, 49)
Show SMILES CC1COC(Cn2cc(cn2)-c2ccc(F)cn2)N(C1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-22(32-27-7-8-28-32)20(9-16)24(33)31-12-17(2)15-34-23(31)14-30-13-18(10-29-30)21-5-4-19(25)11-26-21/h3-11,13,17,23H,12,14-15H2,1-2H3
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US Patent
n/an/a 1.40n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260977
PNG
(CHEMBL4070565)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1cc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C25H24FN5O2/c1-4-31(17(3)15-22-29-24(33-30-22)18-7-9-19(26)10-8-18)25(32)21-14-16(2)6-11-20(21)23-27-12-5-13-28-23/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50543819
PNG
(CHEMBL4639148)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r|
Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260985
PNG
(CHEMBL4100428)
Show SMILES CCN([C@@H](C)Cn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H24FN7O/c1-4-30(23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31)17(3)15-29-12-9-21(28-29)20-7-6-18(24)14-25-20/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260975
PNG
(CHEMBL4095852)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1cc(F)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H21F2N5O2/c1-3-31(15(2)13-21-29-23(33-30-21)16-5-7-17(25)8-6-16)24(32)20-14-18(26)9-10-19(20)22-27-11-4-12-28-22/h4-12,14-15H,3,13H2,1-2H3/t15-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50260985
PNG
(CHEMBL4100428)
Show SMILES CCN([C@@H](C)Cn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H24FN7O/c1-4-30(23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31)17(3)15-29-12-9-21(28-29)20-7-6-18(24)14-25-20/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1
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Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM208521
PNG
(US9266870, 37)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cc1noc(n1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-3-8-19(30-25-9-10-26-30)18(13-15)23(31)29-11-2-12-32-21(29)14-20-27-22(33-28-20)16-4-6-17(24)7-5-16/h3-10,13,21H,2,11-12,14H2,1H3
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US Patent
n/an/a 1.70n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261019
PNG
(CHEMBL4087320)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1nc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22FN9O/c1-4-29(21(32)19-18(10-5-14(2)25-19)31-23-11-12-24-31)15(3)13-30-27-20(26-28-30)16-6-8-17(22)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261003
PNG
(CHEMBL4060971)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1cc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H24FN7O/c1-4-31(17(3)15-32-29-22(28-30-32)18-7-9-19(25)10-8-18)24(33)21-14-16(2)6-11-20(21)23-26-12-5-13-27-23/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261000
PNG
(CHEMBL4080357)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1nc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H22FN7O2/c1-4-29(22(31)20-18(10-5-14(2)26-20)30-24-11-12-25-30)15(3)13-19-27-21(32-28-19)16-6-8-17(23)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50543833
PNG
(CHEMBL4634034)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ncc(n1)-c1ccc(F)cn1)-n1nccn1 |r|
Show InChI InChI=1S/C22H21FN8O2/c1-15-3-6-20(31-25-7-8-26-31)17(11-15)22(32)29-9-2-10-33-21(29)14-30-27-13-19(28-30)18-5-4-16(23)12-24-18/h3-8,11-13,21H,2,9-10,14H2,1H3/t21-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260984
PNG
(CHEMBL4060868)
Show SMILES CCN([C@@H](C)Cn1cc(nn1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H23FN8O/c1-4-30(22(32)18-11-15(2)5-8-21(18)31-25-9-10-26-31)16(3)13-29-14-20(27-28-29)19-7-6-17(23)12-24-19/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260987
PNG
(CHEMBL4088347)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H22FN7O/c1-15-4-7-21(30-25-9-10-26-30)18(12-15)22(31)28(3)16(2)14-29-11-8-20(27-29)19-6-5-17(23)13-24-19/h4-13,16H,14H2,1-3H3/t16-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50543837
PNG
(CHEMBL4641191)
Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2cc(F)ccc2-n2nccn2)n1 |r|
Show InChI InChI=1S/C22H19F2N7O2/c23-15-3-5-20(31-26-7-8-27-31)17(12-15)22(32)30-9-1-11-33-21(30)14-29-10-6-19(28-29)18-4-2-16(24)13-25-18/h2-8,10,12-13,21H,1,9,11,14H2/t21-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50543831
PNG
(CHEMBL4637497)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cc1cnn(c1)-c1ccc(F)cn1)-n1nccn1 |r|
Show InChI InChI=1S/C23H22FN7O2/c1-16-3-5-20(31-26-7-8-27-31)19(11-16)23(32)29-9-2-10-33-22(29)12-17-13-28-30(15-17)21-6-4-18(24)14-25-21/h3-8,11,13-15,22H,2,9-10,12H2,1H3/t22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261005
PNG
(CHEMBL4090659)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1cc(F)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H21F2N7O/c1-3-31(15(2)14-32-29-21(28-30-32)16-5-7-17(24)8-6-16)23(33)20-13-18(25)9-10-19(20)22-26-11-4-12-27-22/h4-13,15H,3,14H2,1-2H3/t15-/m0/s1
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Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208522
PNG
(US9266870, 38)
Show SMILES Cc1ccc(c(n1)C(=O)N1CCCOC1Cc1noc(n1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1S/C22H20FN7O3/c1-14-3-8-17(30-24-9-10-25-30)20(26-14)22(31)29-11-2-12-32-19(29)13-18-27-21(33-28-18)15-4-6-16(23)7-5-15/h3-10,19H,2,11-13H2,1H3
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n/an/a 2.10n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50543836
PNG
(CHEMBL4637711)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(cn1)-c1ccc(F)cc1)-n1nccn1 |r|
Show InChI InChI=1S/C24H23FN6O2/c1-17-3-8-22(31-26-9-10-27-31)21(13-17)24(32)30-11-2-12-33-23(30)16-29-15-19(14-28-29)18-4-6-20(25)7-5-18/h3-10,13-15,23H,2,11-12,16H2,1H3/t23-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50543830
PNG
(CHEMBL4642480)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(cn1)-c1ccc(F)cn1)-n1nccn1 |r|
Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-7-8-27-31)19(11-16)23(32)30-9-2-10-33-22(30)15-29-14-17(12-28-29)20-5-4-18(24)13-25-20/h3-8,11-14,22H,2,9-10,15H2,1H3/t22-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208518
PNG
(US9266870, 34)
Show SMILES Fc1ccc(nc1)-c1ccn(CC2OCCCN2C(=O)c2cc(F)ccc2-c2ncccn2)n1
Show InChI InChI=1S/C24H20F2N6O2/c25-16-3-5-18(23-27-8-1-9-28-23)19(13-16)24(33)32-10-2-12-34-22(32)15-31-11-7-21(30-31)20-6-4-17(26)14-29-20/h1,3-9,11,13-14,22H,2,10,12,15H2
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n/an/a 2.20n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50543819
PNG
(CHEMBL4639148)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r|
Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208512
PNG
(US9266870, 28)
Show SMILES Cc1ccc(c(n1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-3-8-20(31-25-10-11-26-31)22(27-16)23(32)30-12-2-14-33-21(30)15-29-13-9-19(28-29)17-4-6-18(24)7-5-17/h3-11,13,21H,2,12,14-15H2,1H3
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n/an/a 2.40n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM208501
PNG
(US9266870, 17 | US9266870, 22)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC1Cn1ccc(n1)-c1ccc(F)cc1)-n1nccn1 |w:13.15|
Show InChI InChI=1S/C23H21FN6O2/c1-16-2-7-21(30-25-9-10-26-30)19(14-16)23(31)29-12-13-32-22(29)15-28-11-8-20(27-28)17-3-5-18(24)6-4-17/h2-11,14,22H,12-13,15H2,1H3
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n/an/a 2.40n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208501
PNG
(US9266870, 17 | US9266870, 22)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC1Cn1ccc(n1)-c1ccc(F)cc1)-n1nccn1 |w:13.15|
Show InChI InChI=1S/C23H21FN6O2/c1-16-2-7-21(30-25-9-10-26-30)19(14-16)23(31)29-12-13-32-22(29)15-28-11-8-20(27-28)17-3-5-18(24)6-4-17/h2-11,14,22H,12-13,15H2,1H3
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n/an/a 2.40n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261006
PNG
(CHEMBL4065909)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H21FN8O/c1-3-28(21(31)18-6-4-5-7-19(18)30-23-12-13-24-30)15(2)14-29-26-20(25-27-29)16-8-10-17(22)11-9-16/h4-13,15H,3,14H2,1-2H3/t15-/m0/s1
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Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50543838
PNG
(CHEMBL4633158)
Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2ccccc2-n2nccn2)n1 |r|
Show InChI InChI=1S/C22H20FN7O2/c23-16-6-7-18(24-14-16)19-8-12-28(27-19)15-21-29(11-3-13-32-21)22(31)17-4-1-2-5-20(17)30-25-9-10-26-30/h1-2,4-10,12,14,21H,3,11,13,15H2/t21-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208514
PNG
(US9266870, 30)
Show SMILES Fc1ccc(nc1)-c1ccn(CC2OCCCN2C(=O)c2cc(F)ccc2-n2nccn2)n1
Show InChI InChI=1S/C22H19F2N7O2/c23-15-3-5-20(31-26-7-8-27-31)17(12-15)22(32)30-9-1-11-33-21(30)14-29-10-6-19(28-29)18-4-2-16(24)13-25-18/h2-8,10,12-13,21H,1,9,11,14H2
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n/an/a 2.60n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM208527
PNG
(US9266870, 43)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1cc(cn1)-c1ccc(F)cc1)-c1ncccn1
Show InChI InChI=1S/C26H24FN5O2/c1-18-4-9-22(25-28-10-2-11-29-25)23(14-18)26(33)32-12-3-13-34-24(32)17-31-16-20(15-30-31)19-5-7-21(27)8-6-19/h2,4-11,14-16,24H,3,12-13,17H2,1H3
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TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...

US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
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