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Compile Data Set for Download or QSAR

Found 707 hits with Last Name = 'wagner' and Initial = 't'   
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))
BDBM123341
PNG
(US8742106, 1.45)
Show SMILES COc1ccc(cc1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)
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2n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123327
PNG
(US8742106, 1.6)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r|
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1
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2n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
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2n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123338
PNG
(US8742106, 1.38)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)
PDB

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123327
PNG
(US8742106, 1.6)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r|
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1
PDB

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
PDB

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4n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123357
PNG
(US8742106, 4.7)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccn1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C23H24N6O2/c1-14-6-8-17(9-7-14)16(3)26-18(30)13-31-19-12-15(2)20-21(22-24-10-5-11-25-22)28-29(4)23(20)27-19/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1
PDB

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4n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123338
PNG
(US8742106, 1.38)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)
PDB

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4n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123327
PNG
(US8742106, 1.6)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r|
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1
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5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123357
PNG
(US8742106, 4.7)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccn1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C23H24N6O2/c1-14-6-8-17(9-7-14)16(3)26-18(30)13-31-19-12-15(2)20-21(22-24-10-5-11-25-22)28-29(4)23(20)27-19/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1
PDB

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5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133874
PNG
(CHEMBL3634021)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C |r|
Show InChI InChI=1/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)/t13-/s2
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7n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
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8n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123327
PNG
(US8742106, 1.6)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r|
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1
PDB

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8n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133874
PNG
(CHEMBL3634021)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C |r|
Show InChI InChI=1/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)/t13-/s2
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10n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
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14n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123358
PNG
(US8742106, 4.8)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cnccn1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C23H24N6O2/c1-14-5-7-17(8-6-14)16(3)26-19(30)13-31-20-11-15(2)21-22(18-12-24-9-10-25-18)28-29(4)23(21)27-20/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1
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15n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123342
PNG
(US8742106, 1.46)
Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)
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20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123398
PNG
(US8742106, 6.63)
Show SMILES Cc1ccc2[C@H](CCc2n1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1 |r|
Show InChI InChI=1S/C22H25N5O2/c1-12-10-19(25-22-20(12)21(14-5-6-14)26-27(22)3)29-11-18(28)24-17-9-8-16-15(17)7-4-13(2)23-16/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3,(H,24,28)/t17-/m0/s1
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22n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123342
PNG
(US8742106, 1.46)
Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)
PDB

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26n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123341
PNG
(US8742106, 1.45)
Show SMILES COc1ccc(cc1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)
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29n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123323
PNG
(US8742106, 1.2)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1
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43n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123358
PNG
(US8742106, 4.8)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cnccn1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C23H24N6O2/c1-14-5-7-17(8-6-14)16(3)26-19(30)13-31-20-11-15(2)21-22(18-12-24-9-10-25-18)28-29(4)23(21)27-20/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1
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52n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133880
PNG
(CHEMBL3634028)
Show SMILES CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)-c1ccccc1)c1c(C)nn(C)c1C
Show InChI InChI=1/C24H26F2N6O2/c1-13(20-14(2)29-31(4)15(20)3)27-18(33)12-34-19-11-17(23(25)26)21-22(16-9-7-6-8-10-16)30-32(5)24(21)28-19/h6-11,13,23H,12H2,1-5H3,(H,27,33)
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59n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133880
PNG
(CHEMBL3634028)
Show SMILES CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)-c1ccccc1)c1c(C)nn(C)c1C
Show InChI InChI=1/C24H26F2N6O2/c1-13(20-14(2)29-31(4)15(20)3)27-18(33)12-34-19-11-17(23(25)26)21-22(16-9-7-6-8-10-16)30-32(5)24(21)28-19/h6-11,13,23H,12H2,1-5H3,(H,27,33)
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63n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123331
PNG
(US8742106, 1.18)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)
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78n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123340
PNG
(US8742106, 1.41)
Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)
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83n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123331
PNG
(US8742106, 1.18)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)
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88n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133877
PNG
(CHEMBL3634027)
Show SMILES Cc1cc2CC[C@H](NC(=O)COc3cc(C)c4c(nn(C)c4n3)C3CC3)c2cn1 |r|
Show InChI InChI=1/C22H25N5O2/c1-12-8-19(25-22-20(12)21(14-4-5-14)26-27(22)3)29-11-18(28)24-17-7-6-15-9-13(2)23-10-16(15)17/h8-10,14,17H,4-7,11H2,1-3H3,(H,24,28)/t17-/s2
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93n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123330
PNG
(US8742106, 1.17)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)/t15-/m0/s1
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108n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123398
PNG
(US8742106, 6.63)
Show SMILES Cc1ccc2[C@H](CCc2n1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1 |r|
Show InChI InChI=1S/C22H25N5O2/c1-12-10-19(25-22-20(12)21(14-5-6-14)26-27(22)3)29-11-18(28)24-17-9-8-16-15(17)7-4-13(2)23-16/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3,(H,24,28)/t17-/m0/s1
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109n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123331
PNG
(US8742106, 1.18)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)
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120n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133881
PNG
(CHEMBL3634009)
Show SMILES COc1ccccc1C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1/C25H23F3N4O3/c1-15(17-11-7-8-12-19(17)34-3)29-20(33)14-35-21-13-18(25(26,27)28)22-23(16-9-5-4-6-10-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)
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158n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123331
PNG
(US8742106, 1.18)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)
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168n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123330
PNG
(US8742106, 1.17)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)/t15-/m0/s1
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175n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123323
PNG
(US8742106, 1.2)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1
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200n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133881
PNG
(CHEMBL3634009)
Show SMILES COc1ccccc1C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1/C25H23F3N4O3/c1-15(17-11-7-8-12-19(17)34-3)29-20(33)14-35-21-13-18(25(26,27)28)22-23(16-9-5-4-6-10-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)
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274n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133873
PNG
(CHEMBL3634020)
Show SMILES C[C@H](NC(=O)CNc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1/C24H22F3N5O/c1-15(16-9-5-3-6-10-16)29-20(33)14-28-19-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)31-32(2)23(21)30-19/h3-13,15H,14H2,1-2H3,(H,28,30)(H,29,33)/t15-/s2
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357n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133875
PNG
(CHEMBL3634023)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccn1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/s2
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367n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133878
PNG
(CHEMBL3634026)
Show SMILES CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1)c1c(C)nn(C)c1C
Show InChI InChI=1/C21H26F2N6O2/c1-10(17-11(2)26-28(4)12(17)3)24-15(30)9-31-16-8-14(20(22)23)18-19(13-6-7-13)27-29(5)21(18)25-16/h8,10,13,20H,6-7,9H2,1-5H3,(H,24,30)
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527n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133883
PNG
(CHEMBL3634012)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1cccnc1
Show InChI InChI=1/C23H20F3N5O2/c1-14(16-9-6-10-27-12-16)28-18(32)13-33-19-11-17(23(24,25)26)20-21(15-7-4-3-5-8-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)
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582n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133875
PNG
(CHEMBL3634023)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccn1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/s2
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660n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133878
PNG
(CHEMBL3634026)
Show SMILES CC(NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1)c1c(C)nn(C)c1C
Show InChI InChI=1/C21H26F2N6O2/c1-10(17-11(2)26-28(4)12(17)3)24-15(30)9-31-16-8-14(20(22)23)18-19(13-6-7-13)27-29(5)21(18)25-16/h8,10,13,20H,6-7,9H2,1-5H3,(H,24,30)
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778n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133877
PNG
(CHEMBL3634027)
Show SMILES Cc1cc2CC[C@H](NC(=O)COc3cc(C)c4c(nn(C)c4n3)C3CC3)c2cn1 |r|
Show InChI InChI=1/C22H25N5O2/c1-12-8-19(25-22-20(12)21(14-4-5-14)26-27(22)3)29-11-18(28)24-17-7-6-15-9-13(2)23-10-16(15)17/h8-10,14,17H,4-7,11H2,1-3H3,(H,24,28)/t17-/s2
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783n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM123340
PNG
(US8742106, 1.41)
Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)
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800n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133871
PNG
(CHEMBL3634014)
Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/s2
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949n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133883
PNG
(CHEMBL3634012)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1cccnc1
Show InChI InChI=1/C23H20F3N5O2/c1-14(16-9-6-10-27-12-16)28-18(32)13-33-19-11-17(23(24,25)26)20-21(15-7-4-3-5-8-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)
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970n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133873
PNG
(CHEMBL3634020)
Show SMILES C[C@H](NC(=O)CNc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1/C24H22F3N5O/c1-15(16-9-5-3-6-10-16)29-20(33)14-28-19-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)31-32(2)23(21)30-19/h3-13,15H,14H2,1-2H3,(H,28,30)(H,29,33)/t15-/s2
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1.14E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133872
PNG
(CHEMBL3634016)
Show SMILES C[C@@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r|
Show InChI InChI=1/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/s2
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>2.00E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133871
PNG
(CHEMBL3634014)
Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/s2
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2.29E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133882
PNG
(CHEMBL3634011)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccn1
Show InChI InChI=1/C23H20F3N5O2/c1-14(17-10-6-7-11-27-17)28-18(32)13-33-19-12-16(23(24,25)26)20-21(15-8-4-3-5-9-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)
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2.67E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
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