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10 similar compounds to monomer 184021

Wt: 460.4
BDBM184020
Wt: 460.4
BDBM184022
Wt: 464.4
BDBM184023
Wt: 460.4
BDBM184025
Wt: 430.4
BDBM184043
Wt: 430.4
BDBM184045
Wt: 444.4
BDBM184051
Wt: 416.4
BDBM183964
Wt: 430.4
BDBM183965
Wt: 456.4
BDBM183968

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 184020,184022,184023,184025,184043,184045,184051,183964,183965,183968   
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))
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 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
Orexin receptor 1


(Homo sapiens (Human))
BDBM183968
PNG
(US9150566, 5)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
Show InChI InChI=1S/C25H24N6O3/c1-33-23-8-7-18(16-21(23)24-26-9-4-10-27-24)15-19-17-34-14-13-30(19)25(32)20-5-2-3-6-22(20)31-28-11-12-29-31/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
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n/an/a 4n/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))
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))
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/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
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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))
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/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))
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 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
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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
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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))
BDBM183968
PNG
(US9150566, 5)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
Show InChI InChI=1S/C25H24N6O3/c1-33-23-8-7-18(16-21(23)24-26-9-4-10-27-24)15-19-17-34-14-13-30(19)25(32)20-5-2-3-6-22(20)31-28-11-12-29-31/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
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n/an/a 2.95E+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))
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 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
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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))
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
PDB

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n/an/a 60n/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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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))
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 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))
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 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))
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
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))
BDBM183968
PNG
(US9150566, 5)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
Show InChI InChI=1S/C25H24N6O3/c1-33-23-8-7-18(16-21(23)24-26-9-4-10-27-24)15-19-17-34-14-13-30(19)25(32)20-5-2-3-6-22(20)31-28-11-12-29-31/h2-12,16,19H,13-15,17H2,1H3/t19-/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))
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))
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 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))
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
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