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46 similar compounds to monomer 184147

Wt: 443.5
BDBM184026
Wt: 429.4
BDBM183990
Wt: 449.8
BDBM183993
Wt: 429.4
BDBM184028
Wt: 443.5
BDBM184029
Wt: 429.4
BDBM184030
Wt: 443.5
BDBM184031
Wt: 443.5
BDBM184032
Wt: 443.5
BDBM184033
Wt: 443.5
BDBM184034
Wt: 449.8
BDBM184039
Wt: 443.5
BDBM184058
Wt: 443.5
BDBM184059
Wt: 457.5
BDBM184060
Wt: 415.4
BDBM183975
Displayed 1 to 15 (of 46 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 184026,183990,183993,184028,184029,184030,184031,184032,184033,184034,184039,184058,184059,184060,183975   
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))
BDBM183975
PNG
(US9150566, 12)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H21N7O2/c30-22(20-6-1-2-7-21(20)29-25-10-11-26-29)27-12-13-31-16-19(27)15-17-4-3-5-18(14-17)28-23-8-9-24-28/h1-11,14,19H,12-13,15-16H2/t19-/m1/s1
PDB

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n/an/a 17n/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))
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
PDB
MMDB

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n/an/a 9.70E+3n/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))
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 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))
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/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))
BDBM184028
PNG
(US9150566, 66)
Show SMILES Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-6-7-18(15-22(17)30-26-10-11-27-30)14-19-16-32-13-12-28(19)23(31)20-4-2-3-5-21(20)29-24-8-9-25-29/h2-11,15,19H,12-14,16H2,1H3/t19-/m1/s1
PDB

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n/an/a 16n/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))
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
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))
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
PDB

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n/an/a 16n/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))
BDBM184031
PNG
(US9150566, 69)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)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-/m1/s1
PDB

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n/an/a 0.900n/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))
BDBM184032
PNG
(US9150566, 70)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-5-3-8-22(23(17)31-27-11-12-28-31)24(32)29-18(2)15-33-16-21(29)14-19-6-4-7-20(13-19)30-25-9-10-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/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))
BDBM184033
PNG
(US9150566, 71)
Show SMILES C[C@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)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 35n/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))
BDBM184034
PNG
(US9150566, 72)
Show SMILES C[C@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-5-3-8-22(23(17)31-27-11-12-28-31)24(32)29-18(2)15-33-16-21(29)14-19-6-4-7-20(13-19)30-25-9-10-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21+/m0/s1
PDB

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n/an/a 8n/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))
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
PDB

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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))
BDBM184058
PNG
(US9150566, 96)
Show SMILES C[C@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-15-18(2)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 10n/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))
BDBM184059
PNG
(US9150566, 97)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-5-3-8-22(23(17)31-27-11-12-28-31)24(32)29-15-18(2)33-16-21(29)14-19-6-4-7-20(13-19)30-25-9-10-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/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))
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
PDB

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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 2


(Homo sapiens (Human))
BDBM183975
PNG
(US9150566, 12)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H21N7O2/c30-22(20-6-1-2-7-21(20)29-25-10-11-26-29)27-12-13-31-16-19(27)15-17-4-3-5-18(14-17)28-23-8-9-24-28/h1-11,14,19H,12-13,15-16H2/t19-/m1/s1
PDB

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n/an/a 1.24E+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))
BDBM183990
PNG
(US9150566, 27)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-5-6-21(22(13-17)30-26-9-10-27-30)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
PDB

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n/an/a 274n/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))
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
PDB

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n/an/a 199n/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))
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
PDB

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n/an/a 261n/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))
BDBM184028
PNG
(US9150566, 66)
Show SMILES Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-6-7-18(15-22(17)30-26-10-11-27-30)14-19-16-32-13-12-28(19)23(31)20-4-2-3-5-21(20)29-24-8-9-25-29/h2-11,15,19H,12-14,16H2,1H3/t19-/m1/s1
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US Patent
n/an/a 992n/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))
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 274n/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))
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 1.30E+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))
BDBM184031
PNG
(US9150566, 69)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)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-/m1/s1
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n/an/a 314n/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))
BDBM184032
PNG
(US9150566, 70)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-5-3-8-22(23(17)31-27-11-12-28-31)24(32)29-18(2)15-33-16-21(29)14-19-6-4-7-20(13-19)30-25-9-10-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
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n/an/a 2.61E+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))
BDBM184033
PNG
(US9150566, 71)
Show SMILES C[C@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)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
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n/an/a 2.19E+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))
BDBM184034
PNG
(US9150566, 72)
Show SMILES C[C@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-5-3-8-22(23(17)31-27-11-12-28-31)24(32)29-18(2)15-33-16-21(29)14-19-6-4-7-20(13-19)30-25-9-10-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21+/m0/s1
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n/an/a 2.46E+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))
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/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))
BDBM184058
PNG
(US9150566, 96)
Show SMILES C[C@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-15-18(2)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
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n/an/a 390n/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))
BDBM184059
PNG
(US9150566, 97)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-5-3-8-22(23(17)31-27-11-12-28-31)24(32)29-15-18(2)33-16-21(29)14-19-6-4-7-20(13-19)30-25-9-10-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
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n/an/a 237n/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))
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/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))
BDBM183975
PNG
(US9150566, 12)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H21N7O2/c30-22(20-6-1-2-7-21(20)29-25-10-11-26-29)27-12-13-31-16-19(27)15-17-4-3-5-18(14-17)28-23-8-9-24-28/h1-11,14,19H,12-13,15-16H2/t19-/m1/s1
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n/an/a 3.00E+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))
BDBM183990
PNG
(US9150566, 27)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-5-6-21(22(13-17)30-26-9-10-27-30)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 3.10E+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))
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/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))
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 2.20E+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))
BDBM184028
PNG
(US9150566, 66)
Show SMILES Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-6-7-18(15-22(17)30-26-10-11-27-30)14-19-16-32-13-12-28(19)23(31)20-4-2-3-5-21(20)29-24-8-9-25-29/h2-11,15,19H,12-14,16H2,1H3/t19-/m1/s1
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n/an/a 3.60E+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))
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 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))
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 2.40E+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))
BDBM184033
PNG
(US9150566, 71)
Show SMILES C[C@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)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
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n/an/a 1.40E+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))
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 1.60E+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))
BDBM184058
PNG
(US9150566, 96)
Show SMILES C[C@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-15-18(2)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
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n/an/a 2.80E+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))
BDBM184059
PNG
(US9150566, 97)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-5-3-8-22(23(17)31-27-11-12-28-31)24(32)29-15-18(2)33-16-21(29)14-19-6-4-7-20(13-19)30-25-9-10-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
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n/an/a 1.10E+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))
BDBM183990
PNG
(US9150566, 27)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-5-6-21(22(13-17)30-26-9-10-27-30)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 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