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20 similar compounds to monomer 184047

Wt: 460.4
BDBM184020
Wt: 460.4
BDBM184022
Wt: 460.4
BDBM184025
Wt: 458.5
BDBM184041
Wt: 430.4
BDBM184043
Wt: 434.4
BDBM184044
Wt: 430.4
BDBM184045
Wt: 450.8
BDBM184046
Wt: 450.8
BDBM184048
Wt: 484.4
BDBM184049
Wt: 434.4
BDBM184050
Wt: 444.4
BDBM184051
Wt: 450.8
BDBM184052
Wt: 416.4
BDBM183964
Wt: 430.4
BDBM183965
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 184020,184022,184025,184041,184043,184044,184045,184046,184048,184049,184050,184051,184052,183964,183965   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor 1


(Homo sapiens (Human))
BDBM183964
PNG
(US9150566, 1)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20N6O3/c29-22(19-6-1-2-7-20(19)28-24-8-9-25-28)27-10-11-30-14-18(27)13-16-4-3-5-17(12-16)21-23-15-31-26-21/h1-9,12,15,18H,10-11,13-14H2/t18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM184052
PNG
(US9150566, 90)
Show SMILES Clc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C22H19ClN6O3/c23-19-6-5-15(12-18(19)21-24-14-32-27-21)11-16-13-31-10-9-28(16)22(30)17-3-1-2-4-20(17)29-25-7-8-26-29/h1-8,12,14,16H,9-11,13H2/t16-/m1/s1
PDB
MMDB

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n/an/a 2.10E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184020
PNG
(US9150566, 58)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-3-5-21(30-26-7-8-27-30)19(11-16)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
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n/an/a 0.700n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(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
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n/an/a 0.700n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184025
PNG
(US9150566, 63)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2c(C)cccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-4-3-5-20(30-26-8-9-27-30)22(16)24(31)29-10-11-33-14-18(29)12-17-6-7-21(32-2)19(13-17)23-25-15-34-28-23/h3-9,13,15,18H,10-12,14H2,1-2H3/t18-/m1/s1
PDB

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n/an/a 9n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184041
PNG
(US9150566, 79)
Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(c2)-c2ncon2)c(cc1C)-n1nccn1
Show InChI InChI=1S/C25H26N6O3/c1-16-4-5-19(13-21(16)24-26-15-34-29-24)12-20-14-33-9-8-30(20)25(32)22-10-17(2)18(3)11-23(22)31-27-6-7-28-31/h4-7,10-11,13,15,20H,8-9,12,14H2,1-3H3/t20-/m1/s1
PDB

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n/an/a 0.400n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 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
PDB

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n/an/a 2n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184044
PNG
(US9150566, 82)
Show SMILES Fc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c1-n1nccn1
Show InChI InChI=1S/C22H19FN6O3/c23-19-6-2-5-18(20(19)29-25-7-8-26-29)22(30)28-9-10-31-13-17(28)12-15-3-1-4-16(11-15)21-24-14-32-27-21/h1-8,11,14,17H,9-10,12-13H2/t17-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184045
PNG
(US9150566, 83)
Show SMILES Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c1-n1nccn1
Show InChI InChI=1S/C23H22N6O3/c1-16-4-2-7-20(21(16)29-25-8-9-26-29)23(30)28-10-11-31-14-19(28)13-17-5-3-6-18(12-17)22-24-15-32-27-22/h2-9,12,15,19H,10-11,13-14H2,1H3/t19-/m1/s1
PDB

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n/an/a 7n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184046
PNG
(US9150566, 84)
Show SMILES Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C22H19ClN6O3/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 5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184048
PNG
(US9150566, 86)
Show SMILES Clc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H19ClN6O3/c23-17-4-5-19(20(12-17)29-25-6-7-26-29)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 42n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(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
PDB

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



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(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 30n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184051
PNG
(US9150566, 89)
Show SMILES Cc1cc(C)c(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C24H24N6O3/c1-16-10-17(2)22(30-26-6-7-27-30)21(11-16)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/t20-/m1/s1
PDB

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n/an/a 7n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184052
PNG
(US9150566, 90)
Show SMILES Clc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C22H19ClN6O3/c23-19-6-5-15(12-18(19)21-24-14-32-27-21)11-16-13-31-10-9-28(16)22(30)17-3-1-2-4-20(17)29-25-7-8-26-29/h1-8,12,14,16H,9-11,13H2/t16-/m1/s1
PDB

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n/an/a 12n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM183964
PNG
(US9150566, 1)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20N6O3/c29-22(19-6-1-2-7-20(19)28-24-8-9-25-28)27-10-11-30-14-18(27)13-16-4-3-5-17(12-16)21-23-15-31-26-21/h1-9,12,15,18H,10-11,13-14H2/t18-/m1/s1
PDB

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n/an/a 803n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM183965
PNG
(US9150566, 2)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C23H22N6O3/c1-16-5-6-21(29-25-7-8-26-29)20(11-16)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
PDB

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n/an/a 406n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184020
PNG
(US9150566, 58)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-3-5-21(30-26-7-8-27-30)19(11-16)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 42n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 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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US Patent
n/an/a 34n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184025
PNG
(US9150566, 63)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2c(C)cccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-4-3-5-20(30-26-8-9-27-30)22(16)24(31)29-10-11-33-14-18(29)12-17-6-7-21(32-2)19(13-17)23-25-15-34-28-23/h3-9,13,15,18H,10-12,14H2,1-2H3/t18-/m1/s1
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US Patent
n/an/a 49n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184041
PNG
(US9150566, 79)
Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(c2)-c2ncon2)c(cc1C)-n1nccn1
Show InChI InChI=1S/C25H26N6O3/c1-16-4-5-19(13-21(16)24-26-15-34-29-24)12-20-14-33-9-8-30(20)25(32)22-10-17(2)18(3)11-23(22)31-27-6-7-28-31/h4-7,10-11,13,15,20H,8-9,12,14H2,1-3H3/t20-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(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 212n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184044
PNG
(US9150566, 82)
Show SMILES Fc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c1-n1nccn1
Show InChI InChI=1S/C22H19FN6O3/c23-19-6-2-5-18(20(19)29-25-7-8-26-29)22(30)28-9-10-31-13-17(28)12-15-3-1-4-16(11-15)21-24-14-32-27-21/h1-8,11,14,17H,9-10,12-13H2/t17-/m1/s1
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US Patent
n/an/a 1.14E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184045
PNG
(US9150566, 83)
Show SMILES Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c1-n1nccn1
Show InChI InChI=1S/C23H22N6O3/c1-16-4-2-7-20(21(16)29-25-8-9-26-29)23(30)28-10-11-31-14-19(28)13-17-5-3-6-18(12-17)22-24-15-32-27-22/h2-9,12,15,19H,10-11,13-14H2,1H3/t19-/m1/s1
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n/an/a 403n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184046
PNG
(US9150566, 84)
Show SMILES Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C22H19ClN6O3/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
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n/an/a 246n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184048
PNG
(US9150566, 86)
Show SMILES Clc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H19ClN6O3/c23-17-4-5-19(20(12-17)29-25-6-7-26-29)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
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n/an/a 2.65E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(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 227n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 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
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n/an/a 893n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184051
PNG
(US9150566, 89)
Show SMILES Cc1cc(C)c(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C24H24N6O3/c1-16-10-17(2)22(30-26-6-7-27-30)21(11-16)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/t20-/m1/s1
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n/an/a 420n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM184052
PNG
(US9150566, 90)
Show SMILES Clc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C22H19ClN6O3/c23-19-6-5-15(12-18(19)21-24-14-32-27-21)11-16-13-31-10-9-28(16)22(30)17-3-1-2-4-20(17)29-25-7-8-26-29/h1-8,12,14,16H,9-11,13H2/t16-/m1/s1
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n/an/a 475n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM183964
PNG
(US9150566, 1)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20N6O3/c29-22(19-6-1-2-7-20(19)28-24-8-9-25-28)27-10-11-30-14-18(27)13-16-4-3-5-17(12-16)21-23-15-31-26-21/h1-9,12,15,18H,10-11,13-14H2/t18-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM183965
PNG
(US9150566, 2)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C23H22N6O3/c1-16-5-6-21(29-25-7-8-26-29)20(11-16)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 4.30E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM184020
PNG
(US9150566, 58)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-3-5-21(30-26-7-8-27-30)19(11-16)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
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n/an/a 4.20E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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
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n/an/a 4.10E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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 3.30E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM184045
PNG
(US9150566, 83)
Show SMILES Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c1-n1nccn1
Show InChI InChI=1S/C23H22N6O3/c1-16-4-2-7-20(21(16)29-25-8-9-26-29)23(30)28-10-11-31-14-19(28)13-17-5-3-6-18(12-17)22-24-15-32-27-22/h2-9,12,15,19H,10-11,13-14H2,1H3/t19-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM184046
PNG
(US9150566, 84)
Show SMILES Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C22H19ClN6O3/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
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n/an/a 2.10E+4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM183965
PNG
(US9150566, 2)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C23H22N6O3/c1-16-5-6-21(29-25-7-8-26-29)20(11-16)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 7n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair