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Patent code US9150566

Compile Data Set for Download or QSAR

Found 561 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183967
PNG
(US9150566, 4)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccnc1
Show InChI InChI=1S/C26H25N5O3/c1-33-25-9-8-19(16-23(25)20-5-4-10-27-17-20)15-21-18-34-14-13-30(21)26(32)22-6-2-3-7-24(22)31-28-11-12-29-31/h2-12,16-17,21H,13-15,18H2,1H3/t21-/m1/s1
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n/an/a 6n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183969
PNG
(US9150566, 6)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cnccn1
Show InChI InChI=1S/C25H24N6O3/c1-33-24-7-6-18(15-21(24)22-16-26-8-9-27-22)14-19-17-34-13-12-30(19)25(32)20-4-2-3-5-23(20)31-28-10-11-29-31/h2-11,15-16,19H,12-14,17H2,1H3/t19-/m1/s1
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n/an/a 12n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183985
PNG
(US9150566, 22)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2cccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C24H24N6O2/c1-18-6-7-22(23(14-18)30-26-9-10-27-30)24(31)28-12-13-32-17-21(28)16-19-4-2-5-20(15-19)29-11-3-8-25-29/h2-11,14-15,21H,12-13,16-17H2,1H3/t21-/m1/s1
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n/an/a 3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183991
PNG
(US9150566, 28)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ccncc1)-n1nccn1
Show InChI InChI=1S/C26H25N5O2/c1-19-5-6-25(31-28-11-12-29-31)24(15-19)26(32)30-13-14-33-18-23(30)17-20-3-2-4-22(16-20)21-7-9-27-10-8-21/h2-12,15-16,23H,13-14,17-18H2,1H3/t23-/m1/s1
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n/an/a 43n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184017
PNG
(US9150566, 54)
Show SMILES Fc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
Show InChI InChI=1S/C22H20FN7O2/c23-20-6-2-5-19(21(20)30-26-9-10-27-30)22(31)28-11-12-32-15-18(28)14-16-3-1-4-17(13-16)29-24-7-8-25-29/h1-10,13,18H,11-12,14-15H2/t18-/m1/s1
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n/an/a 46n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183960
PNG
(US9150566, Ref. 4)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1 |r|
Show InChI InChI=1S/C24H25N7O/c1-18-8-9-23(31-27-12-13-28-31)22(15-18)24(32)29-14-3-2-6-20(29)16-19-5-4-7-21(17-19)30-25-10-11-26-30/h4-5,7-13,15,17,20H,2-3,6,14,16H2,1H3/t20-/m0/s1
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n/an/a 0.300n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184019
PNG
(US9150566, 57)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccccc1-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H20FN7O2/c23-20-6-5-17(29-24-7-8-25-29)13-16(20)14-18-15-32-12-11-28(18)22(31)19-3-1-2-4-21(19)30-26-9-10-27-30/h1-10,13,18H,11-12,14-15H2/t18-/m1/s1
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n/an/a 48n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184023
PNG
(US9150566, 61)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(F)cc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C23H21FN6O4/c1-32-21-5-2-15(11-19(21)22-25-14-34-28-22)10-17-13-33-9-8-29(17)23(31)18-4-3-16(24)12-20(18)30-26-6-7-27-30/h2-7,11-12,14,17H,8-10,13H2,1H3/t17-/m1/s1
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n/an/a 1n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184026
PNG
(US9150566, 65)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1ccc(C)c(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-4-2-7-21(22(17)30-26-10-11-27-30)23(31)28-12-13-32-16-20(28)15-18-5-3-6-19(14-18)29-24-8-9-25-29/h2-11,14,20H,12-13,15-16H2,1H3/t20-/m1/s1
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n/an/a 6n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184043
PNG
(US9150566, 81)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H22N6O3/c1-16-5-6-20(21(11-16)29-25-7-8-26-29)23(30)28-9-10-31-14-19(28)13-17-3-2-4-18(12-17)22-24-15-32-27-22/h2-8,11-12,15,19H,9-10,13-14H2,1H3/t19-/m1/s1
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n/an/a 2n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184064
PNG
(US9150566, 102)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@@]1(C)Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-18-6-7-22(31-27-10-11-28-31)21(14-18)23(32)29-12-13-33-17-24(29,2)16-19-4-3-5-20(15-19)30-25-8-9-26-30/h3-11,14-15H,12-13,16-17H2,1-2H3/t24-/m1/s1
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n/an/a 25n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184065
PNG
(US9150566, 103)
Show SMILES Cc1cc(c(cc1Cl)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-11-22(31-27-7-8-28-31)20(14-21(16)24)23(32)29-9-10-33-15-19(29)13-17-3-2-4-18(12-17)30-25-5-6-26-30/h2-8,11-12,14,19H,9-10,13,15H2,1H3/t19-/m1/s1
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n/an/a 0.700n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184071
PNG
(US9150566, 109)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C26H26N6O2/c1-18-7-8-24(32-29-11-12-30-32)23(13-18)26(33)31-16-19(2)34-17-22(31)15-20-5-3-6-21(14-20)25-27-9-4-10-28-25/h3-14,19,22H,15-17H2,1-2H3/t19-,22-/m1/s1
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n/an/a 1n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184077
PNG
(US9150566, 115)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-23(32-28-9-10-29-32)21(11-16)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-5-22(18)25)31-26-7-8-27-31/h3-12,17,20H,13-15H2,1-2H3/t17-,20-/m1/s1
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n/an/a 2n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184087
PNG
(US9150566, 125)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1Cl)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-2-5-22(31-27-8-9-28-31)20(12-16)23(32)29-10-11-33-15-19(29)14-17-13-18(3-4-21(17)24)30-25-6-7-26-30/h2-9,12-13,19H,10-11,14-15H2,1H3/t19-/m1/s1
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n/an/a 7n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184092
PNG
(US9150566, 130)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H19ClFN7O2/c23-16-1-3-19(21(13-16)31-27-7-8-28-31)22(32)29-9-10-33-14-18(29)12-15-11-17(2-4-20(15)24)30-25-5-6-26-30/h1-8,11,13,18H,9-10,12,14H2/t18-/m1/s1
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n/an/a 3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184099
PNG
(US9150566, 137)
Show SMILES Fc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(cc1F)-n1nccn1
Show InChI InChI=1S/C22H18F3N7O2/c23-18-2-1-15(31-26-3-4-27-31)9-14(18)10-16-13-34-8-7-30(16)22(33)17-11-19(24)20(25)12-21(17)32-28-5-6-29-32/h1-6,9,11-12,16H,7-8,10,13H2/t16-/m1/s1
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n/an/a 30n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184115
PNG
(US9150566, 153)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2ncccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C25H22ClFN6O2/c1-16-14-32(25(34)21-5-4-19(26)13-23(21)33-30-9-10-31-33)20(15-35-16)12-18-11-17(3-6-22(18)27)24-28-7-2-8-29-24/h2-11,13,16,20H,12,14-15H2,1H3/t16-,20-/m1/s1
PDB

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n/an/a 3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184124
PNG
(US9150566, 162)
Show SMILES C[C@@H]1OCCN([C@@H]1Cc1cccc(c1)-n1nccn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(31-27-10-11-28-31)21(14-17)24(32)29-12-13-33-18(2)23(29)16-19-4-3-5-20(15-19)30-25-8-9-26-30/h3-11,14-15,18,23H,12-13,16H2,1-2H3/t18-,23+/m0/s1
PDB

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US Patent
n/an/a 24n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184137
PNG
(US9150566, 175)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-2-4-19(21(10-15)30-26-6-7-27-30)23(31)29-8-9-32-13-18(29)12-17-11-16(3-5-20(17)24)22-25-14-33-28-22/h2-7,10-11,14,18H,8-9,12-13H2,1H3/t18-/m1/s1
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n/an/a 3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184138
PNG
(US9150566, 176)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1-n1nccn1)-c1ncon1
Show InChI InChI=1S/C22H18ClFN6O3/c23-16-2-4-20(30-26-5-6-27-30)18(11-16)22(31)29-7-8-32-12-17(29)10-15-9-14(1-3-19(15)24)21-25-13-33-28-21/h1-6,9,11,13,17H,7-8,10,12H2/t17-/m1/s1
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n/an/a 11n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184153
PNG
(US9150566, 191)
Show SMILES Cc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-2-4-19(30-25-6-7-26-30)12-17(16)13-20-15-33-11-10-29(20)23(32)21-5-3-18(24)14-22(21)31-27-8-9-28-31/h2-9,12,14,20H,10-11,13,15H2,1H3/t20-/m1/s1
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n/an/a 12n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM183971
PNG
(US9150566, 8)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1nccs1
Show InChI InChI=1S/C24H23N5O3S/c1-31-22-7-6-17(15-20(22)23-25-10-13-33-23)14-18-16-32-12-11-28(18)24(30)19-4-2-3-5-21(19)29-26-8-9-27-29/h2-10,13,15,18H,11-12,14,16H2,1H3/t18-/m1/s1
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n/an/a 335n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM183991
PNG
(US9150566, 28)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ccncc1)-n1nccn1
Show InChI InChI=1S/C26H25N5O2/c1-19-5-6-25(31-28-11-12-29-31)24(15-19)26(32)30-13-14-33-18-23(30)17-20-3-2-4-22(16-20)21-7-9-27-10-8-21/h2-12,15-16,23H,13-14,17-18H2,1H3/t23-/m1/s1
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n/an/a 2.11E+3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184003
PNG
(US9150566, 40)
Show SMILES Cc1ccnc(n1)-c1cccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C25H24N6O2/c1-18-9-10-26-24(29-18)20-6-4-5-19(15-20)16-21-17-33-14-13-30(21)25(32)22-7-2-3-8-23(22)31-27-11-12-28-31/h2-12,15,21H,13-14,16-17H2,1H3/t21-/m1/s1
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n/an/a 762n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184009
PNG
(US9150566, 46)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1cccs1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H22N4O2S/c29-24(21-7-1-2-8-22(21)28-25-10-11-26-28)27-12-13-30-17-20(27)16-18-5-3-6-19(15-18)23-9-4-14-31-23/h1-11,14-15,20H,12-13,16-17H2/t20-/m1/s1
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n/an/a 163n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184017
PNG
(US9150566, 54)
Show SMILES Fc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
Show InChI InChI=1S/C22H20FN7O2/c23-20-6-2-5-19(21(20)30-26-9-10-27-30)22(31)28-11-12-32-15-18(28)14-16-3-1-4-17(13-16)29-24-7-8-25-29/h1-10,13,18H,11-12,14-15H2/t18-/m1/s1
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n/an/a 1.82E+3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184018
PNG
(US9150566, 56)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1F)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-2-5-22(31-27-8-9-28-31)20(12-16)23(32)29-10-11-33-15-19(29)14-17-13-18(3-4-21(17)24)30-25-6-7-26-30/h2-9,12-13,19H,10-11,14-15H2,1H3/t19-/m1/s1
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n/an/a 837n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184022
PNG
(US9150566, 60)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(C)cc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-3-5-19(21(11-16)30-26-7-8-27-30)24(31)29-9-10-33-14-18(29)12-17-4-6-22(32-2)20(13-17)23-25-15-34-28-23/h3-8,11,13,15,18H,9-10,12,14H2,1-2H3/t18-/m1/s1
PDB

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n/an/a 34n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184039
PNG
(US9150566, 77)
Show SMILES Clc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H20ClN7O2/c23-17-4-5-20(21(14-17)30-26-8-9-27-30)22(31)28-10-11-32-15-19(28)13-16-2-1-3-18(12-16)29-24-6-7-25-29/h1-9,12,14,19H,10-11,13,15H2/t19-/m1/s1
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n/an/a 96n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184152
PNG
(US9150566, 190)
Show SMILES Cc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(C)c1-n1nccn1)-n1cccn1
Show InChI InChI=1S/C25H26N6O2/c1-18-7-8-21(30-12-4-9-26-30)15-20(18)16-22-17-33-14-13-29(22)25(32)23-6-3-5-19(2)24(23)31-27-10-11-28-31/h3-12,15,22H,13-14,16-17H2,1-2H3/t22-/m1/s1
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n/an/a 25n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184050
PNG
(US9150566, 88)
Show SMILES Fc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C22H19FN6O3/c23-17-4-5-20(29-25-6-7-26-29)19(12-17)22(30)28-8-9-31-13-18(28)11-15-2-1-3-16(10-15)21-24-14-32-27-21/h1-7,10,12,14,18H,8-9,11,13H2/t18-/m1/s1
PDB

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n/an/a 893n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184070
PNG
(US9150566, 108)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C25H24N6O2/c1-18-16-30(25(32)22-8-2-3-9-23(22)31-28-12-13-29-31)21(17-33-18)15-19-6-4-7-20(14-19)24-26-10-5-11-27-24/h2-14,18,21H,15-17H2,1H3/t18-,21-/m1/s1
PDB

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n/an/a 855n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184074
PNG
(US9150566, 112)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1ccc(C)c(C)c1-n1nccn1
Show InChI InChI=1S/C27H28N6O2/c1-18-8-9-24(25(20(18)3)33-30-12-13-31-33)27(34)32-16-19(2)35-17-23(32)15-21-6-4-7-22(14-21)26-28-10-5-11-29-26/h4-14,19,23H,15-17H2,1-3H3/t19-,23-/m1/s1
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n/an/a 839n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184082
PNG
(US9150566, 120)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2Cl)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-2-4-20(22(12-16)31-27-8-9-28-31)23(32)29-10-11-33-15-19(29)14-17-13-18(3-5-21(17)24)30-25-6-7-26-30/h2-9,12-13,19H,10-11,14-15H2,1H3/t19-/m1/s1
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n/an/a 531n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184087
PNG
(US9150566, 125)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1Cl)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-2-5-22(31-27-8-9-28-31)20(12-16)23(32)29-10-11-33-15-19(29)14-17-13-18(3-4-21(17)24)30-25-6-7-26-30/h2-9,12-13,19H,10-11,14-15H2,1H3/t19-/m1/s1
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n/an/a 626n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184095
PNG
(US9150566, 133)
Show SMILES COc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c1F)-n1nccn1
Show InChI InChI=1S/C23H21F2N7O3/c1-34-20-5-4-19(32-28-8-9-29-32)21(22(20)25)23(33)30-10-11-35-14-17(30)13-15-12-16(2-3-18(15)24)31-26-6-7-27-31/h2-9,12,17H,10-11,13-14H2,1H3/t17-/m1/s1
PDB

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n/an/a 2.60E+3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184099
PNG
(US9150566, 137)
Show SMILES Fc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(cc1F)-n1nccn1
Show InChI InChI=1S/C22H18F3N7O2/c23-18-2-1-15(31-26-3-4-27-31)9-14(18)10-16-13-34-8-7-30(16)22(33)17-11-19(24)20(25)12-21(17)32-28-5-6-29-32/h1-6,9,11-12,16H,7-8,10,13H2/t16-/m1/s1
PDB

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n/an/a 202n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184100
PNG
(US9150566, 138)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(cc1-n1nccn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C23H19F4N7O2/c24-20-4-2-17(33-28-5-6-29-33)11-15(20)12-18-14-36-10-9-32(18)22(35)19-3-1-16(23(25,26)27)13-21(19)34-30-7-8-31-34/h1-8,11,13,18H,9-10,12,14H2/t18-/m1/s1
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n/an/a 159n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184102
PNG
(US9150566, 140)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2ccnn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-23(32-27-7-8-28-32)21(11-16)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-5-22(18)25)31-10-9-26-29-31/h3-12,17,20H,13-15H2,1-2H3/t17-,20-/m1/s1
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n/an/a 1.11E+3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184128
PNG
(US9150566, 166)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2cccnn2)c(c1)-n1nccn1
Show InChI InChI=1S/C25H23FN6O2/c1-17-4-6-21(24(13-17)32-28-9-10-29-32)25(33)31-11-12-34-16-20(31)15-19-14-18(5-7-22(19)26)23-3-2-8-27-30-23/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184132
PNG
(US9150566, 170)
Show SMILES Clc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2Cl)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H19Cl2N7O2/c23-16-1-3-19(21(13-16)31-27-7-8-28-31)22(32)29-9-10-33-14-18(29)12-15-11-17(2-4-20(15)24)30-25-5-6-26-30/h1-8,11,13,18H,9-10,12,14H2/t18-/m1/s1
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n/an/a 451n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184137
PNG
(US9150566, 175)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-2-4-19(21(10-15)30-26-6-7-27-30)23(31)29-8-9-32-13-18(29)12-17-11-16(3-5-20(17)24)22-25-14-33-28-22/h2-7,10-11,14,18H,8-9,12-13H2,1H3/t18-/m1/s1
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n/an/a 359n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184139
PNG
(US9150566, 177)
Show SMILES Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c1-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-3-2-4-19(21(15)30-26-7-8-27-30)23(31)29-9-10-32-13-18(29)12-17-11-16(5-6-20(17)24)22-25-14-33-28-22/h2-8,11,14,18H,9-10,12-13H2,1H3/t18-/m1/s1
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n/an/a 893n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184143
PNG
(US9150566, 181)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(c1C)-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-15-3-5-20(22(16(15)2)31-27-7-8-28-31)24(32)30-9-10-33-13-19(30)12-18-11-17(4-6-21(18)25)23-26-14-34-29-23/h3-8,11,14,19H,9-10,12-13H2,1-2H3/t19-/m1/s1
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n/an/a 1.57E+3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184147
PNG
(US9150566, 185)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-14-29(23(32)21-6-5-18(24)13-22(21)31-27-9-10-28-31)20(15-33-16)12-17-3-2-4-19(11-17)30-25-7-8-26-30/h2-11,13,16,20H,12,14-15H2,1H3/t16-,20-/m1/s1
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n/an/a 39n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM183977
PNG
(US9150566, 14)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1cccn1
Show InChI InChI=1S/C24H24N6O3/c1-32-23-8-7-18(16-22(23)29-12-4-9-25-29)15-19-17-33-14-13-28(19)24(31)20-5-2-3-6-21(20)30-26-10-11-27-30/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
PDB
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n/an/a>5.00E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM183987
PNG
(US9150566, 24)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ccccn1)-n1nccn1
Show InChI InChI=1S/C26H25N5O2/c1-19-8-9-25(31-28-11-12-29-31)23(15-19)26(32)30-13-14-33-18-22(30)17-20-5-4-6-21(16-20)24-7-2-3-10-27-24/h2-12,15-16,22H,13-14,17-18H2,1H3/t22-/m1/s1
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n/an/a>5.00E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM183991
PNG
(US9150566, 28)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ccncc1)-n1nccn1
Show InChI InChI=1S/C26H25N5O2/c1-19-5-6-25(31-28-11-12-29-31)24(15-19)26(32)30-13-14-33-18-23(30)17-20-3-2-4-22(16-20)21-7-9-27-10-8-21/h2-12,15-16,23H,13-14,17-18H2,1H3/t23-/m1/s1
PDB
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n/an/a 300n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184002
PNG
(US9150566, 39)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1nccc(C)n1)-n1nccn1
Show InChI InChI=1S/C26H26N6O2/c1-18-6-7-24(32-28-10-11-29-32)23(14-18)26(33)31-12-13-34-17-22(31)16-20-4-3-5-21(15-20)25-27-9-8-19(2)30-25/h3-11,14-15,22H,12-13,16-17H2,1-2H3/t22-/m1/s1
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n/an/a 1.80E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%