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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))		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 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))		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))		BDBM183995
PNG
(US9150566, 32)
Show SMILES COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H23N7O3/c1-32-20-5-6-22(30-26-9-10-27-30)21(15-20)23(31)28-11-12-33-16-19(28)14-17-3-2-4-18(13-17)29-24-7-8-25-29/h2-10,13,15,19H,11-12,14,16H2,1H3/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))		BDBM184005
PNG
(US9150566, 42)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncco1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H21N5O3/c29-23(20-6-1-2-7-21(20)28-25-8-9-26-28)27-11-13-30-16-19(27)15-17-4-3-5-18(14-17)22-24-10-12-31-22/h1-10,12,14,19H,11,13,15-16H2/t19-/m1/s1
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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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184007
PNG
(US9150566, 44)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H21N5O2S/c29-23(20-6-1-2-7-21(20)28-25-8-9-26-28)27-11-12-30-16-19(27)15-17-4-3-5-18(14-17)22-24-10-13-31-22/h1-10,13-14,19H,11-12,15-16H2/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))		BDBM184012
PNG
(US9150566, 49)
Show SMILES Cc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncccn2)c1F)-n1nccn1
Show InChI InChI=1S/C25H23FN6O2/c1-17-6-7-21(32-29-10-11-30-32)22(23(17)26)25(33)31-12-13-34-16-20(31)15-18-4-2-5-19(14-18)24-27-8-3-9-28-24/h2-11,14,20H,12-13,15-16H2,1H3/t20-/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))		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))		BDBM184030
PNG
(US9150566, 68)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-15-32-16-20(14-18-5-4-6-19(13-18)29-24-9-10-25-29)28(17)23(31)21-7-2-3-8-22(21)30-26-11-12-27-30/h2-13,17,20H,14-16H2,1H3/t17-,20-/m1/s1
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n/an/a 16n/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))		BDBM184103
PNG
(US9150566, 141)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2ccnn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-5-21(23(11-16)32-27-7-8-28-32)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-6-22(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 16n/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))		BDBM184108
PNG
(US9150566, 146)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(F)cc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-2-3-21(22(10-16)31-27-6-7-28-31)23(32)29-8-9-33-15-20(29)13-17-11-18(24)14-19(12-17)30-25-4-5-26-30/h2-7,10-12,14,20H,8-9,13,15H2,1H3/t20-/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))		BDBM184121
PNG
(US9150566, 159)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1-n1nccn1)-c1ncccn1
Show InChI InChI=1S/C24H20ClFN6O2/c25-18-3-5-22(32-29-8-9-30-32)20(14-18)24(33)31-10-11-34-15-19(31)13-17-12-16(2-4-21(17)26)23-27-6-1-7-28-23/h1-9,12,14,19H,10-11,13,15H2/t19-/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))		BDBM184133
PNG
(US9150566, 171)
Show SMILES Clc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H19Cl2N7O2/c23-19-5-4-16(30-25-6-7-26-30)12-15(19)13-17-14-33-11-10-29(17)22(32)18-2-1-3-20(24)21(18)31-27-8-9-28-31/h1-9,12,17H,10-11,13-14H2/t17-/m1/s1
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n/an/a 10n/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))		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 1.88E+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))		BDBM183974
PNG
(US9150566, 11)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-5-6-22(30-26-9-10-27-30)21(13-17)23(31)28-11-12-32-16-20(28)15-18-3-2-4-19(14-18)29-24-7-8-25-29/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-/m1/s1
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n/an/a 196n/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))		BDBM184015
PNG
(US9150566, 52)
Show SMILES Cc1ccc(c(n1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H22N8O2/c1-16-5-6-20(30-25-9-10-26-30)21(27-16)22(31)28-11-12-32-15-19(28)14-17-3-2-4-18(13-17)29-23-7-8-24-29/h2-10,13,19H,11-12,14-15H2,1H3/t19-/m1/s1
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n/an/a 1.63E+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))		BDBM184021
PNG
(US9150566, 59)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C23H22N6O4/c1-31-21-7-6-16(13-19(21)22-24-15-33-27-22)12-17-14-32-11-10-28(17)23(30)18-4-2-3-5-20(18)29-25-8-9-26-29/h2-9,13,15,17H,10-12,14H2,1H3/t17-/m1/s1
PDB

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n/an/a 80n/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))		BDBM184035
PNG
(US9150566, 73)
Show SMILES C[C@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-23(31-27-10-11-28-31)22(12-17)24(32)29-18(2)15-33-16-21(29)14-19-4-3-5-20(13-19)30-25-8-9-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21+/m0/s1
PDB

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n/an/a 1.85E+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))		BDBM184042
PNG
(US9150566, 80)
Show SMILES Fc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(cc1F)-n1nccn1
Show InChI InChI=1S/C22H18F2N6O3/c23-18-10-17(20(11-19(18)24)30-26-4-5-27-30)22(31)29-6-7-32-12-16(29)9-14-2-1-3-15(8-14)21-25-13-33-28-21/h1-5,8,10-11,13,16H,6-7,9,12H2/t16-/m1/s1
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n/an/a 645n/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))		BDBM184060
PNG
(US9150566, 98)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H27N7O2/c1-17-11-23(24(12-18(17)2)32-28-9-10-29-32)25(33)30-15-19(3)34-16-22(30)14-20-5-4-6-21(13-20)31-26-7-8-27-31/h4-13,19,22H,14-16H2,1-3H3/t19-,22-/m1/s1
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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 receptor type 2


(Homo sapiens (Human))		BDBM184079
PNG
(US9150566, 117)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-5-21(23(11-16)32-28-9-10-29-32)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-6-22(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 107n/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))		BDBM184093
PNG
(US9150566, 131)
Show SMILES COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1F)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O3/c1-33-19-3-5-22(31-27-8-9-28-31)20(14-19)23(32)29-10-11-34-15-18(29)13-16-12-17(2-4-21(16)24)30-25-6-7-26-30/h2-9,12,14,18H,10-11,13,15H2,1H3/t18-/m1/s1
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n/an/a 1.13E+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))		BDBM184106
PNG
(US9150566, 144)
Show SMILES CC[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C25H27N7O2/c1-3-22-16-30(25(33)23-8-7-18(2)13-24(23)32-28-11-12-29-32)21(17-34-22)15-19-5-4-6-20(14-19)31-26-9-10-27-31/h4-14,21-22H,3,15-17H2,1-2H3/t21-,22-/m1/s1
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n/an/a 104n/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))		BDBM184130
PNG
(US9150566, 168)
Show SMILES C[C@H]1OCCN([C@@H]1Cc1cccc(c1)-n1nccn1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-21(23(14-17)31-27-10-11-28-31)24(32)29-12-13-33-18(2)22(29)16-19-4-3-5-20(15-19)30-25-8-9-26-30/h3-11,14-15,18,22H,12-13,16H2,1-2H3/t18-,22-/m1/s1
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n/an/a 3.51E+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))		BDBM184142
PNG
(US9150566, 180)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1-n1nccn1)-c1ncon1
Show InChI InChI=1S/C22H18ClFN6O3/c23-18-3-1-2-17(20(18)30-26-6-7-27-30)22(31)29-8-9-32-12-16(29)11-15-10-14(4-5-19(15)24)21-25-13-33-28-21/h1-7,10,13,16H,8-9,11-12H2/t16-/m1/s1
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n/an/a 830n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184148
PNG
(US9150566, 186)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(Cl)ccc1-n1nccn1
Show InChI InChI=1S/C23H21ClFN7O2/c1-15-13-30(23(33)20-12-17(24)2-5-22(20)32-28-8-9-29-32)19(14-34-15)11-16-10-18(3-4-21(16)25)31-26-6-7-27-31/h2-10,12,15,19H,11,13-14H2,1H3/t15-,19-/m1/s1
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n/an/a 181n/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))		BDBM184150
PNG
(US9150566, 188)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1C)-n1cccn1)-n1nccn1
Show InChI InChI=1S/C25H26N6O2/c1-18-4-7-24(31-27-9-10-28-31)23(14-18)25(32)29-12-13-33-17-22(29)16-20-15-21(6-5-19(20)2)30-11-3-8-26-30/h3-11,14-15,22H,12-13,16-17H2,1-2H3/t22-/m1/s1
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n/an/a 2.13E+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
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM183993
PNG
(US9150566, 30)
Show SMILES Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H20ClN7O2/c23-17-4-5-21(30-26-8-9-27-30)20(14-17)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 1.70E+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))		BDBM183995
PNG
(US9150566, 32)
Show SMILES COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H23N7O3/c1-32-20-5-6-22(30-26-9-10-27-30)21(15-20)23(31)28-11-12-33-16-19(28)14-17-3-2-4-18(13-17)29-24-7-8-25-29/h2-10,13,15,19H,11-12,14,16H2,1H3/t19-/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))		BDBM183997
PNG
(US9150566, 34)
Show SMILES COc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1OC)-n1nccn1
Show InChI InChI=1S/C24H25N7O4/c1-33-22-14-20(21(15-23(22)34-2)31-27-8-9-28-31)24(32)29-10-11-35-16-19(29)13-17-4-3-5-18(12-17)30-25-6-7-26-30/h3-9,12,14-15,19H,10-11,13,16H2,1-2H3/t19-/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))		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
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184016
PNG
(US9150566, 53)
Show SMILES Cc1ccc(c(n1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccn1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-6-7-21(30-25-9-10-26-30)22(27-17)23(31)28-12-13-32-16-20(28)15-18-4-2-5-19(14-18)29-11-3-8-24-29/h2-11,14,20H,12-13,15-16H2,1H3/t20-/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))		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>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))		BDBM184049
PNG
(US9150566, 87)
Show SMILES FC(F)(F)c1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H19F3N6O3/c24-23(25,26)17-4-5-19(20(12-17)32-28-6-7-29-32)22(33)31-8-9-34-13-18(31)11-15-2-1-3-16(10-15)21-27-14-35-30-21/h1-7,10,12,14,18H,8-9,11,13H2/t18-/m1/s1
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n/an/a 1.50E+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))		BDBM184056
PNG
(US9150566, 94)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(c1C)-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-5-21(23(17(16)2)32-28-9-10-29-32)24(33)30-11-12-34-15-20(30)14-18-13-19(4-6-22(18)25)31-26-7-8-27-31/h3-10,13,20H,11-12,14-15H2,1-2H3/t20-/m1/s1
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n/an/a 3.00E+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))		BDBM184057
PNG
(US9150566, 95)
Show SMILES COc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O3/c1-33-19-3-4-20(22(14-19)31-27-8-9-28-31)23(32)29-10-11-34-15-18(29)13-16-12-17(2-5-21(16)24)30-25-6-7-26-30/h2-9,12,14,18H,10-11,13,15H2,1H3/t18-/m1/s1
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n/an/a 4.90E+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))		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 1.70E+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))		BDBM184069
PNG
(US9150566, 107)
Show SMILES Clc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
Show InChI InChI=1S/C22H20ClN7O2/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 2.20E+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))		BDBM184078
PNG
(US9150566, 116)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-14-29(23(32)20-4-2-3-5-22(20)31-27-10-11-28-31)19(15-33-16)13-17-12-18(6-7-21(17)24)30-25-8-9-26-30/h2-12,16,19H,13-15H2,1H3/t16-,19-/m1/s1
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n/an/a 2.10E+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))		BDBM184081
PNG
(US9150566, 119)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1C)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-3-6-23(31-27-9-10-28-31)22(13-17)24(32)29-11-12-33-16-21(29)15-19-14-20(5-4-18(19)2)30-25-7-8-26-30/h3-10,13-14,21H,11-12,15-16H2,1-2H3/t21-/m1/s1
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n/an/a 1.90E+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))		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 2.20E+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))		BDBM184088
PNG
(US9150566, 126)
Show SMILES Clc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccccc1-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H20ClN7O2/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 1.70E+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))		BDBM184106
PNG
(US9150566, 144)
Show SMILES CC[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C25H27N7O2/c1-3-22-16-30(25(33)23-8-7-18(2)13-24(23)32-28-11-12-29-32)21(17-34-22)15-19-5-4-6-20(14-19)31-26-9-10-27-31/h4-14,21-22H,3,15-17H2,1-2H3/t21-,22-/m1/s1
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n/an/a 9.60E+3n/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))		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 1.90E+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))		BDBM184136
PNG
(US9150566, 174)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1F)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-2-5-21(30-26-6-7-27-30)19(10-15)23(31)29-8-9-32-13-18(29)12-17-11-16(3-4-20(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 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))		BDBM184145
PNG
(US9150566, 183)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2F)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-5-6-19(21(13-16)31-27-9-10-28-31)23(32)29-11-12-33-15-18(29)14-17-3-2-4-20(22(17)24)30-25-7-8-26-30/h2-10,13,18H,11-12,14-15H2,1H3/t18-/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
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184029
PNG
(US9150566, 67)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-3-6-21(23(13-17)31-27-9-10-28-31)24(32)29-11-12-33-16-20(29)14-19-5-4-18(2)22(15-19)30-25-7-8-26-30/h3-10,13,15,20H,11-12,14,16H2,1-2H3/t20-/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
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* indicates data uncertainty>20%