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Patent code US9732075

Compile Data Set for Download or QSAR

Found 1982 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 receptor type 2


(Homo sapiens (Human))
BDBM335161
PNG
(US9732075, Example 6.121 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES COc1cccc(c1)-c1sc(C)nc1C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1
PDB

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n/an/a 0.5n/an/an/an/an/an/a



IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335172
PNG
(US9732075, Example 6.131 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES COc1ccc(c(c1)C(=O)N1CC(=C)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)-n1nccn1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334712
PNG
(US9732075, Example 4.70 | [(2S,3S)-2-(5-Chloro-4-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1nc(C)sc1-c1ccc(F)cc1
PDB

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n/an/a 0.600n/an/an/an/an/an/a



IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335171
PNG
(US9732075, Example 6.130 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES Cc1cc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(cc1C)-n1nccn1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335180
PNG
((4,5-Dimethyl-2-[1,2,3]triazol-2-yl-phenyl)-[(S)-2...)
Show SMILES COc1ccc2nc([nH]c2c1)[C@@H]1CC(=C)CN1C(=O)c1cc(C)c(C)cc1-n1nccn1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335162
PNG
(US9732075, Example 6.122 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(s1)-c1cccc(C)c1
PDB

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n/an/a 0.600n/an/an/an/an/an/a



IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335160
PNG
(US9732075, Example 6.120 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(s1)-c1cccc(c1)C(F)(F)F
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335153
PNG
(US9732075, Example 6.114 | [5-(3-Methoxy-phenyl)-2...)
Show SMILES COc1cccc(c1)-c1sc(C)nc1C(=O)N1CC(=C)C[C@H]1c1nc2cccc(C)c2[nH]1
PDB

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



IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334620
PNG
(US9732075, Example 3.41 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(sc1-c1cccc(Cl)c1)N(C)C)c1nc2ccc(Cl)c(C)c2[nH]1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335151
PNG
(US9732075, Example 6.112 | [(S)-2-(7-Methyl-1H-ben...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(c1)C(F)(F)F
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335163
PNG
(US9732075, Example 6.123 | [5-(3-Bromo-phenyl)-2-m...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(s1)-c1cccc(Br)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335166
PNG
(US9732075, Example 6.126 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(s1)-c1ccc(Cl)c(Cl)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334704
PNG
(US9732075, Example 4.63 | [(2S,3S)-2-(5-Chloro-4-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1nc(C)sc1-c1ccc(Cl)cc1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335142
PNG
(US9732075, Example 6.104 | [5-(3-Bromo-phenyl)-2-m...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(Br)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334611
PNG
(US9732075, Example 3.33 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(sc1-c1ccc(C)c(C)c1)N(C)C)c1nc2ccc(Cl)c(C)c2[nH]1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335165
PNG
(US9732075, Example 6.125 | [5-(3-Bromo-4-fluoro-ph...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(s1)-c1ccc(F)c(Br)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335162
PNG
(US9732075, Example 6.122 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(s1)-c1cccc(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335325
PNG
(US9732075, Example 6.93 | rac-[2-(4-Bromo-1H-benzo...)
Show SMILES Cc1cccc(c1)-c1sc(nc1C(=O)N1CC(=C)CC1c1nc2c(Br)cccc2[nH]1)C1CC1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335139
PNG
(US9732075, Example 6.101 | [(S)-2-(7-Methyl-1H-ben...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cccc(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334610
PNG
(US9732075, Example 3.32 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1cccc(C)c1)c1nc2ccc(Cl)c(C)c2[nH]1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334612
PNG
(US9732075, Example 3.34 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1)c1nc2ccc(Cl)c(C)c2[nH]1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334702
PNG
(US9732075, Example 4.61 | [(2S,3S)-2-(5-Chloro-4-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1ccccc1-c1ccc(C)cc1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334708
PNG
(US9732075, Example 4.67 | [(2S,3S)-2-(5-Chloro-4-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1nc(C)sc1-c1cc(F)cc(F)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335358
PNG
(US9732075, Example 7.22 | [(S)-2-(5-Chloro-1,4-dim...)
Show SMILES Cc1c(Cl)ccc2n(C)c(nc12)[C@]1(C)CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1
Show InChI InChI=1S/C23H22Cl2N6O/c1-14-17(25)6-8-19-20(14)28-22(29(19)3)23(2)9-4-12-30(23)21(32)16-13-15(24)5-7-18(16)31-26-10-11-27-31/h5-8,10-11,13H,4,9,12H2,1-3H3/t23-/m0/s1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335275
PNG
(US9732075, Example 6.47 | [(S)-2-(4,5-Dimethyl-1H-...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)c(C)ccc3[nH]2)c(s1)-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334769
PNG
(US9732075, Example 4.127 | [(2S,3S)-2-(4-Chloro-1H...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(Cl)cccc2[nH]1)C(=O)c1ccsc1-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334770
PNG
(US9732075, Example 4.128 | [(2S,3S)-2-(4-Chloro-1H...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(Cl)cccc2[nH]1)C(=O)c1nc(sc1-c1ccc(C)c(C)c1)N(C)C
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335149
PNG
(US9732075, Example 6.110 | [5-(3-Bromo-4-fluoro-ph...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1ccc(F)c(Br)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335279
PNG
(US9732075, Example 6.50 | [(S)-2-(4-Bromo-1H-benzo...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(Br)cccc3[nH]2)c(s1)-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335357
PNG
(US9732075, Example 7.21 | [(S)-2-(5-Chloro-1-ethyl...)
Show SMILES CCn1c(nc2c(C)c(Cl)ccc12)[C@]1(C)CCCN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C25H27ClN6O/c1-5-30-21-10-8-19(26)17(3)22(21)29-24(30)25(4)11-6-14-31(25)23(33)18-15-16(2)7-9-20(18)32-27-12-13-28-32/h7-10,12-13,15H,5-6,11,14H2,1-4H3/t25-/m0/s1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335359
PNG
(US9732075, Example 7.23 | [(S)-2-(5-Chloro-1,4-dim...)
Show SMILES COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2n1C)-n1nccn1
Show InChI InChI=1S/C24H25ClN6O2/c1-15-18(25)7-9-20-21(15)28-23(29(20)3)24(2)10-5-13-30(24)22(32)17-14-16(33-4)6-8-19(17)31-26-11-12-27-31/h6-9,11-12,14H,5,10,13H2,1-4H3/t24-/m0/s1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334656
PNG
(US9732075, Example 4.21 | [(2S,3S)-2-(5-Chloro-4-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1nc(C)sc1-c1cccc(Cl)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335326
PNG
(US9732075, Example 6.94 | rac-(2-Cyclopropyl-5-m-t...)
Show SMILES Cc1cccc(c1)-c1sc(nc1C(=O)N1CC(=C)CC1c1nc2c(C)cccc2[nH]1)C1CC1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335284
PNG
(US9732075, Example 6.55 | [(S)-2-(5-Chloro-6-methy...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cc(Cl)c(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335273
PNG
(US9732075, Example 6.45 | [(S)-2-(5-Chloro-4-methy...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)c(Cl)ccc3[nH]2)c(s1)-c1cccc(Cl)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335369
PNG
(US9732075, Example 7.33 | [(S)-2-(5-Chloro-1,4-dim...)
Show SMILES Cc1nc(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3n2C)c(s1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H24Cl2N4OS/c1-14-18(27)9-10-19-20(14)29-24(30(19)4)25(3)11-6-12-31(25)23(32)21-22(33-15(2)28-21)16-7-5-8-17(26)13-16/h5,7-10,13H,6,11-12H2,1-4H3/t25-/m0/s1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334767
PNG
(US9732075, Example 4.125 | [(2S,3S)-2-(4-Chloro-1H...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(Cl)cccc2[nH]1)C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334777
PNG
(US9732075, Example 4.134 | [(2S,3S)-2-(5-Chloro-4-...)
Show SMILES COc1cccc(c1)C#Cc1ccccc1C(=O)N1CC[C@H](C)[C@H]1c1nc2c(C)c(Cl)ccc2[nH]1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM335091
PNG
(US9732075, Example 5.266 | [(S)-2-(6-Bromo-4,5-dim...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(C)c(Br)cc2[nH]1)-n1nccn1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335277
PNG
(US9732075, Example 6.49 | [5-(3,4-Dimethyl-phenyl)...)
Show SMILES CSc1cccc2[nH]c(nc12)[C@@H]1CC(=C)CN1C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335282
PNG
(US9732075, Example 6.53 | [5-(3,4-Dimethyl-phenyl)...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cccc3[nH]2)c(s1)-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335285
PNG
(US9732075, Example 6.56 | [(S)-2-(5,6-Dimethyl-1H-...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cc(C)c(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335287
PNG
(US9732075, Example 6.58 | [(S)-2-(4,6-Dimethyl-1H-...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3c(C)cc(C)cc3[nH]2)c(s1)-c1ccc(C)c(C)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335322
PNG
(US9732075, Example 6.90 | rac-(2-Cyclopropyl-5-m-t...)
Show SMILES Cc1cccc(c1)-c1sc(nc1C(=O)N1CC(=C)CC1c1nc2cc(C)c(C)cc2[nH]1)C1CC1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335331
PNG
(US9732075, Example 6.99 | rac-[2-(7-Chloro-1H-benz...)
Show SMILES Cc1cccc(c1)-c1sc(nc1C(=O)N1CC(=C)CC1c1nc2cccc(Cl)c2[nH]1)C1CC1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM334588
PNG
(US9732075, Example 3.12 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)ccc1-n1nccn1)c1nc2ccc(Cl)c(C)c2[nH]1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334640
PNG
(US9732075, Example 3.9 | [(2S,4R)-2-(5-Chloro-4-me...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1cccc(Cl)c1)c1nc2c(C)c(Cl)ccc2[nH]1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334650
PNG
(US9732075, Example 4.16 | [5-(3-Chloro-phenyl)-2-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)cc(C)cc2[nH]1)C(=O)c1nc(C)sc1-c1cccc(Cl)c1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335087
PNG
((4-Bromo-biphenyl-2-yl)-[(S)-2-methyl-2-(5-trifluo...)
Show SMILES C[C@]1(CCCN1C(=O)c1cc(Br)ccc1-c1ccccc1)c1nc2cc(ccc2[nH]1)C(F)(F)F
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335091
PNG
(US9732075, Example 5.266 | [(S)-2-(6-Bromo-4,5-dim...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(C)c(Br)cc2[nH]1)-n1nccn1
PDB

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IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair
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