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PubMed code 28807572

Compile data set for download or QSAR
Found 74 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
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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PubMed
 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))		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/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))		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))		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))		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/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))		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/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))		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 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/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/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/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))		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/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))		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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n/an/a 2n/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))		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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n/an/a 2.5n/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))		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 2.60n/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
Inhibition of trypsin

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))		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 2.70n/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 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))		BDBM50261028
PNG
(CHEMBL3398466)
Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
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n/an/a 2.80n/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 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261022
PNG
(CHEMBL4069644)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20F2N8O/c1-3-29(21(32)18-12-17(23)8-9-19(18)31-24-10-11-25-31)14(2)13-30-27-20(26-28-30)15-4-6-16(22)7-5-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1
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n/an/a 3.10n/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))		BDBM50261028
PNG
(CHEMBL3398466)
Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
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n/an/a 3.20n/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))		BDBM50260998
PNG
(CHEMBL4096766)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H23FN6O2/c1-4-31(16(3)13-21-29-23(33-30-21)20-9-7-17(25)14-28-20)24(32)19-12-15(2)6-8-18(19)22-26-10-5-11-27-22/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1
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n/an/a 3.20n/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))		BDBM50261001
PNG
(CHEMBL4098384)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1nc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H23FN6O2/c1-4-31(16(3)14-20-29-23(33-30-20)17-7-9-18(25)10-8-17)24(32)21-19(11-6-15(2)28-21)22-26-12-5-13-27-22/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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n/an/a 3.60n/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))		BDBM50260986
PNG
(CHEMBL4060107)
Show SMILES C[C@@H](Cn1cc(cn1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H22FN7O/c1-15-4-7-21(30-25-8-9-26-30)19(10-15)22(31)28(3)16(2)13-29-14-17(11-27-29)20-6-5-18(23)12-24-20/h4-12,14,16H,13H2,1-3H3/t16-/m0/s1
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n/an/a 4.40n/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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261020
PNG
(CHEMBL4068004)
Show SMILES CC[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H24FN7O/c1-4-18(15-30-12-9-21(28-30)20-7-6-17(24)14-25-20)29(3)23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31/h5-14,18H,4,15H2,1-3H3/t18-/m0/s1
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n/an/a 4.40n/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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260991
PNG
(CHEMBL3398476)
Show SMILES CN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H20FN7O/c1-15-3-6-20(29-24-8-9-25-29)17(13-15)21(30)27(2)11-12-28-10-7-19(26-28)18-5-4-16(22)14-23-18/h3-10,13-14H,11-12H2,1-2H3
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n/an/a 5.5n/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))		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 5.70n/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 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))		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 5.90n/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 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50261021
PNG
(CHEMBL4096898)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1nc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H23FN8O/c1-4-31(16(3)14-32-29-21(28-30-32)17-7-9-18(24)10-8-17)23(33)20-19(11-6-15(2)27-20)22-25-12-5-13-26-22/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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n/an/a 6.20n/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))		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 8.90n/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 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260989
PNG
(CHEMBL3398472)
Show SMILES CCN(CCn1cc(cn1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22FN7O/c1-3-28(10-11-29-15-17(13-27-29)20-6-5-18(23)14-24-20)22(31)19-12-16(2)4-7-21(19)30-25-8-9-26-30/h4-9,12-15H,3,10-11H2,1-2H3
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n/an/a 9.10n/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))		BDBM50261004
PNG
(CHEMBL4082852)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H19F2N9O/c1-3-29(20(32)16-10-14(21)5-7-18(16)31-24-8-9-25-31)13(2)12-30-27-19(26-28-30)17-6-4-15(22)11-23-17/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1
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n/an/a 9.5n/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))		BDBM50260988
PNG
(CHEMBL4096073)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)NC(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20FN7O/c1-14-3-6-20(29-24-8-9-25-29)17(11-14)21(30)26-15(2)13-28-10-7-19(27-28)18-5-4-16(22)12-23-18/h3-12,15H,13H2,1-2H3,(H,26,30)/t15-/m0/s1
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n/an/a 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))		BDBM50261023
PNG
(CHEMBL4088212)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H23FN8O/c1-4-31(16(3)14-32-29-22(28-30-32)20-9-7-17(24)13-27-20)23(33)19-12-15(2)6-8-18(19)21-25-10-5-11-26-21/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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n/an/a 11n/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))		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 11n/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 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))		BDBM50260991
PNG
(CHEMBL3398476)
Show SMILES CN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H20FN7O/c1-15-3-6-20(29-24-8-9-25-29)17(13-15)21(30)27(2)11-12-28-10-7-19(26-28)18-5-4-16(22)14-23-18/h3-10,13-14H,11-12H2,1-2H3
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n/an/a 12n/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 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))		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 12n/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 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))		BDBM50260989
PNG
(CHEMBL3398472)
Show SMILES CCN(CCn1cc(cn1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22FN7O/c1-3-28(10-11-29-15-17(13-27-29)20-6-5-18(23)14-24-20)22(31)19-12-16(2)4-7-21(19)30-25-8-9-26-30/h4-9,12-15H,3,10-11H2,1-2H3
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n/an/a 14n/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 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260999
PNG
(CHEMBL4099210)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cn1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H19F2N7O2/c1-3-29(21(31)16-11-14(22)5-7-18(16)30-25-8-9-26-30)13(2)10-19-27-20(32-28-19)17-6-4-15(23)12-24-17/h4-9,11-13H,3,10H2,1-2H3/t13-/m0/s1
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n/an/a 15n/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))		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 18n/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 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))		BDBM50260986
PNG
(CHEMBL4060107)
Show SMILES C[C@@H](Cn1cc(cn1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H22FN7O/c1-15-4-7-21(30-25-8-9-26-30)19(10-15)22(31)28(3)16(2)13-29-14-17(11-27-29)20-6-5-18(23)12-24-20/h4-12,14,16H,13H2,1-3H3/t16-/m0/s1
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n/an/a 21n/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 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))		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 23n/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 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))		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 24n/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
Inhibition of trypsin

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))		BDBM50261020
PNG
(CHEMBL4068004)
Show SMILES CC[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H24FN7O/c1-4-18(15-30-12-9-21(28-30)20-7-6-17(24)14-25-20)29(3)23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31/h5-14,18H,4,15H2,1-3H3/t18-/m0/s1
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n/an/a 29n/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 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))		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 36n/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 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))		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 41n/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
Inhibition of trypsin

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))		BDBM50260998
PNG
(CHEMBL4096766)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H23FN6O2/c1-4-31(16(3)13-21-29-23(33-30-21)20-9-7-17(25)14-28-20)24(32)19-12-15(2)6-8-18(19)22-26-10-5-11-27-22/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1
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n/an/a 43n/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 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))		BDBM50260990
PNG
(CHEMBL4087451)
Show SMILES CN(CCn1cc(cn1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H20FN7O/c1-15-3-6-20(29-24-7-8-25-29)18(11-15)21(30)27(2)9-10-28-14-16(12-26-28)19-5-4-17(22)13-23-19/h3-8,11-14H,9-10H2,1-2H3
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n/an/a 52n/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 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260990
PNG
(CHEMBL4087451)
Show SMILES CN(CCn1cc(cn1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H20FN7O/c1-15-3-6-20(29-24-7-8-25-29)18(11-15)21(30)27(2)9-10-28-14-16(12-26-28)19-5-4-17(22)13-23-19/h3-8,11-14H,9-10H2,1-2H3
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n/an/a 56n/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))		BDBM50260988
PNG
(CHEMBL4096073)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)NC(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20FN7O/c1-14-3-6-20(29-24-8-9-25-29)17(11-14)21(30)26-15(2)13-28-10-7-19(27-28)18-5-4-16(22)12-23-18/h3-12,15H,13H2,1-2H3,(H,26,30)/t15-/m0/s1
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n/an/a 58n/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 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))		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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n/an/a 61n/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 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260994
PNG
(CHEMBL4066977)
Show SMILES CC(C)[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H26FN7O/c1-16(2)23(15-31-12-9-21(29-31)20-7-6-18(25)14-26-20)30(4)24(33)19-13-17(3)5-8-22(19)32-27-10-11-28-32/h5-14,16,23H,15H2,1-4H3/t23-/m1/s1
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n/an/a 62n/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))		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 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
Inhibition of trypsin

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))		BDBM50260995
PNG
(CHEMBL4089194)
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-/m1/s1
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n/an/a 87n/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))		BDBM50260993
PNG
(CHEMBL3398475)
Show SMILES Cc1ccc(c(c1)C(=O)NCCn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1S/C20H18FN7O/c1-14-2-5-19(28-24-7-8-25-28)16(12-14)20(29)22-9-11-27-10-6-18(26-27)17-4-3-15(21)13-23-17/h2-8,10,12-13H,9,11H2,1H3,(H,22,29)
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n/an/a 119n/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))		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 119n/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 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))		BDBM50261023
PNG
(CHEMBL4088212)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H23FN8O/c1-4-31(16(3)14-32-29-22(28-30-32)20-9-7-17(24)13-27-20)23(33)19-12-15(2)6-8-18(19)21-25-10-5-11-26-21/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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n/an/a 129n/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 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))		BDBM50261022
PNG
(CHEMBL4069644)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20F2N8O/c1-3-29(21(32)18-12-17(23)8-9-19(18)31-24-10-11-25-31)14(2)13-30-27-20(26-28-30)15-4-6-16(22)7-5-15/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1
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n/an/a 139n/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 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))		BDBM50260993
PNG
(CHEMBL3398475)
Show SMILES Cc1ccc(c(c1)C(=O)NCCn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1S/C20H18FN7O/c1-14-2-5-19(28-24-7-8-25-28)16(12-14)20(29)22-9-11-27-10-6-18(26-27)17-4-3-15(21)13-23-17/h2-8,10,12-13H,9,11H2,1H3,(H,22,29)
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n/an/a 198n/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 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260996
PNG
(CHEMBL4068766)
Show SMILES C[C@@H](Cn1cc(cn1)-c1ccc(F)cn1)NC(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20FN7O/c1-14-3-6-20(29-24-7-8-25-29)18(9-14)21(30)27-15(2)12-28-13-16(10-26-28)19-5-4-17(22)11-23-19/h3-11,13,15H,12H2,1-2H3,(H,27,30)/t15-/m0/s1
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n/an/a 245n/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))		BDBM50260995
PNG
(CHEMBL4089194)
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-/m1/s1
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n/an/a 250n/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 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))		BDBM50261001
PNG
(CHEMBL4098384)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1nc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C24H23FN6O2/c1-4-31(16(3)14-20-29-23(33-30-20)17-7-9-18(25)10-8-17)24(32)21-19(11-6-15(2)28-21)22-26-12-5-13-27-22/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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n/an/a 254n/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
Inhibition of trypsin

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))		BDBM50261004
PNG
(CHEMBL4082852)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H19F2N9O/c1-3-29(20(32)16-10-14(21)5-7-18(16)31-24-8-9-25-31)13(2)12-30-27-19(26-28-30)17-6-4-15(22)11-23-17/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1
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n/an/a 471n/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 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))		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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n/an/a 532n/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 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))		BDBM50260996
PNG
(CHEMBL4068766)
Show SMILES C[C@@H](Cn1cc(cn1)-c1ccc(F)cn1)NC(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20FN7O/c1-14-3-6-20(29-24-7-8-25-29)18(9-14)21(30)27-15(2)12-28-13-16(10-26-28)19-5-4-17(22)11-23-19/h3-11,13,15H,12H2,1-2H3,(H,27,30)/t15-/m0/s1
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n/an/a 840n/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 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))		BDBM50260999
PNG
(CHEMBL4099210)
Show SMILES CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cn1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H19F2N7O2/c1-3-29(21(31)16-11-14(22)5-7-18(16)30-25-8-9-26-30)13(2)10-19-27-20(32-28-19)17-6-4-15(23)12-24-17/h4-9,11-13H,3,10H2,1-2H3/t13-/m0/s1
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n/an/a 887n/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
Inhibition of trypsin

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))		BDBM50260992
PNG
(CHEMBL4085017)
Show SMILES Cc1ccc(c(c1)C(=O)NCCn1cc(cn1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1S/C20H18FN7O/c1-14-2-5-19(28-24-6-7-25-28)17(10-14)20(29)22-8-9-27-13-15(11-26-27)18-4-3-16(21)12-23-18/h2-7,10-13H,8-9H2,1H3,(H,22,29)
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n/an/a 908n/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))		BDBM50260994
PNG
(CHEMBL4066977)
Show SMILES CC(C)[C@@H](Cn1ccc(n1)-c1ccc(F)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H26FN7O/c1-16(2)23(15-31-12-9-21(29-31)20-7-6-18(25)14-26-20)30(4)24(33)19-13-17(3)5-8-22(19)32-27-10-11-28-32/h5-14,16,23H,15H2,1-4H3/t23-/m1/s1
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n/an/a 952n/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 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))		BDBM50261021
PNG
(CHEMBL4096898)
Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cc1)C(=O)c1nc(C)ccc1-c1ncccn1 |r|
Show InChI InChI=1S/C23H23FN8O/c1-4-31(16(3)14-32-29-21(28-30-32)17-7-9-18(24)10-8-17)23(33)20-19(11-6-15(2)27-20)22-25-12-5-13-26-22/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
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n/an/a 1.31E+3n/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 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))		BDBM50260992
PNG
(CHEMBL4085017)
Show SMILES Cc1ccc(c(c1)C(=O)NCCn1cc(cn1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1S/C20H18FN7O/c1-14-2-5-19(28-24-6-7-25-28)17(10-14)20(29)22-8-9-27-13-15(11-26-27)18-4-3-16(21)12-23-18/h2-7,10-13H,8-9H2,1H3,(H,22,29)
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n/an/a 1.46E+3n/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 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
* indicates data uncertainty>20%