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PubMed code 24447850

Compile data set for download or QSAR
Found 122 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 1


(Homo sapiens (Human))
BDBM50447814
PNG
(CHEMBL3113742 | US9242970, 30)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H25NO4/c1-29-23-10-6-11-24(30-2)26(23)20-8-5-12-25(28)27(20)16-17-13-14-22-19(15-17)18-7-3-4-9-21(18)31-22/h3-4,6-7,9-11,13-15,20H,5,8,12,16H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447810
PNG
(CHEMBL3113746 | US9242970, 16)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C24H26N2O3S/c1-16-25-19(15-30-16)18-8-4-7-17(13-18)14-26-20(9-5-12-23(26)27)24-21(28-2)10-6-11-22(24)29-3/h4,6-8,10-11,13,15,20H,5,9,12,14H2,1-3H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447804
PNG
(CHEMBL3113752 | US9242970, 57)
Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447810
PNG
(CHEMBL3113746 | US9242970, 16)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C24H26N2O3S/c1-16-25-19(15-30-16)18-8-4-7-17(13-18)14-26-20(9-5-12-23(26)27)24-21(28-2)10-6-11-22(24)29-3/h4,6-8,10-11,13,15,20H,5,9,12,14H2,1-3H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447814
PNG
(CHEMBL3113742 | US9242970, 30)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H25NO4/c1-29-23-10-6-11-24(30-2)26(23)20-8-5-12-25(28)27(20)16-17-13-14-22-19(15-17)18-7-3-4-9-21(18)31-22/h3-4,6-7,9-11,13-15,20H,5,8,12,16H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447786
PNG
(CHEMBL3113770 | US9242970, 137)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H25NO4/c1-16-13-20(25-23(29-2)9-6-10-24(25)30-3)27(26(16)28)15-17-11-12-22-19(14-17)18-7-4-5-8-21(18)31-22/h4-12,14,16,20H,13,15H2,1-3H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447804
PNG
(CHEMBL3113752 | US9242970, 57)
Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447805
PNG
(CHEMBL3113751 | US9242970, 35)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O3S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-17-15-29-23(24-17)16-8-4-3-5-9-16/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447803
PNG
(CHEMBL3113753 | US9242970, 56)
Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c1-27-18-11-12-23-21(28-2)20(18)17-9-6-10-19(26)25(17)13-16-14-29-22(24-16)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,17H,6,9-10,13H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447811
PNG
(CHEMBL3113745 | US9242970, 10)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C25H26N2O3/c1-29-22-12-7-13-23(30-2)25(22)21-11-6-14-24(28)27(21)17-18-8-5-9-19(16-18)20-10-3-4-15-26-20/h3-5,7-10,12-13,15-16,21H,6,11,14,17H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447786
PNG
(CHEMBL3113770 | US9242970, 137)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H25NO4/c1-16-13-20(25-23(29-2)9-6-10-24(25)30-3)27(26(16)28)15-17-11-12-22-19(14-17)18-7-4-5-8-21(18)31-22/h4-12,14,16,20H,13,15H2,1-3H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447811
PNG
(CHEMBL3113745 | US9242970, 10)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C25H26N2O3/c1-29-22-12-7-13-23(30-2)25(22)21-11-6-14-24(28)27(21)17-18-8-5-9-19(16-18)20-10-3-4-15-26-20/h3-5,7-10,12-13,15-16,21H,6,11,14,17H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447807
PNG
(CHEMBL3113749 | US9242970, 219)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1nccs1
Show InChI InChI=1S/C22H23N3O3S/c1-27-18-6-4-7-19(28-2)21(18)17-5-3-8-20(26)25(17)14-15-9-10-23-16(13-15)22-24-11-12-29-22/h4,6-7,9-13,17H,3,5,8,14H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447815
PNG
(CHEMBL3113741 | US9242970, 2)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2sc(C)nc2c1
Show InChI InChI=1S/C22H24N2O3S/c1-14-23-16-12-15(10-11-20(16)28-14)13-24-17(6-4-9-21(24)25)22-18(26-2)7-5-8-19(22)27-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447808
PNG
(CHEMBL3113748 | US9242970, 29)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ncccn1
Show InChI InChI=1S/C24H25N3O3/c1-29-20-10-5-11-21(30-2)23(20)19-9-4-12-22(28)27(19)16-17-7-3-8-18(15-17)24-25-13-6-14-26-24/h3,5-8,10-11,13-15,19H,4,9,12,16H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447809
PNG
(CHEMBL3113747 | US9242970, 44)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-n1nccn1
Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-5-10-20(29-2)22(19)18-8-4-11-21(27)25(18)15-16-6-3-7-17(14-16)26-23-12-13-24-26/h3,5-7,9-10,12-14,18H,4,8,11,15H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447806
PNG
(CHEMBL3113750 | US9242970, 52)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-n1cccn1
Show InChI InChI=1S/C22H24N4O3/c1-28-18-7-4-8-19(29-2)22(18)17-6-3-9-21(27)25(17)15-16-10-12-23-20(14-16)26-13-5-11-24-26/h4-5,7-8,10-14,17H,3,6,9,15H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447762
PNG
(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447784
PNG
(CHEMBL3113772)
Show SMILES COc1cccc(OC)c1C1SCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3NO4S/c1-25-14-4-3-5-15(26-2)17(14)18-23(16(24)11-28-18)10-12-6-8-13(9-7-12)27-19(20,21)22/h3-9,18H,10-11H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447801
PNG
(CHEMBL3113755 | US9242970, 441)
Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C25H25N3O3S/c1-15-26-19-10-11-22(30-3)24(25(19)31-15)21-8-5-9-23(29)28(21)13-17-6-4-7-18(12-17)20-14-32-16(2)27-20/h4,6-7,10-12,14,21H,5,8-9,13H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447809
PNG
(CHEMBL3113747 | US9242970, 44)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-n1nccn1
Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-5-10-20(29-2)22(19)18-8-4-11-21(27)25(18)15-16-6-3-7-17(14-16)26-23-12-13-24-26/h3,5-7,9-10,12-14,18H,4,8,11,15H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447807
PNG
(CHEMBL3113749 | US9242970, 219)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1nccs1
Show InChI InChI=1S/C22H23N3O3S/c1-27-18-6-4-7-19(28-2)21(18)17-5-3-8-20(26)25(17)14-15-9-10-23-16(13-15)22-24-11-12-29-22/h4,6-7,9-13,17H,3,5,8,14H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447769
PNG
(CHEMBL3113544 | US9242970, 184)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1C(C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14(15-10-12-16(13-11-15)30-22(23,24)25)26-17(6-4-9-20(26)27)21-18(28-2)7-5-8-19(21)29-3/h5,7-8,10-14,17H,4,6,9H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447790
PNG
(CHEMBL3113766 | US9242970, 217)
Show SMILES COc1cccc(OC)c1C1CC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-21(2)12-16(19-17(28-3)6-5-7-18(19)29-4)26(20(21)27)13-14-8-10-15(11-9-14)30-22(23,24)25/h5-11,16H,12-13H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447812
PNG
(CHEMBL3113744 | US9242970, 12)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c1-29-22-11-7-12-23(30-2)25(22)21-10-6-13-24(28)27(21)17-18-14-15-26-20(16-18)19-8-4-3-5-9-19/h3-5,7-9,11-12,14-16,21H,6,10,13,17H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447782
PNG
(CHEMBL3113774 | US9242970, 156)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO4/c1-27-17-6-4-7-18(28-2)20(17)16-5-3-8-19(26)25(16)13-14-9-11-15(12-10-14)29-21(22,23)24/h4,6-7,9-12,16H,3,5,8,13H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447763
PNG
(CHEMBL3113550 | US9242970, 189)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H27NO3/c1-29-23-14-8-15-24(30-2)26(23)22-13-7-16-25(28)27(22)18-19-9-6-12-21(17-19)20-10-4-3-5-11-20/h3-6,8-12,14-15,17,22H,7,13,16,18H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447808
PNG
(CHEMBL3113748 | US9242970, 29)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ncccn1
Show InChI InChI=1S/C24H25N3O3/c1-29-20-10-5-11-21(30-2)23(20)19-9-4-12-22(28)27(19)16-17-7-3-8-18(15-17)24-25-13-6-14-26-24/h3,5-8,10-11,13-15,19H,4,9,12,16H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447766
PNG
(CHEMBL3113547 | US9242970, 164)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO4/c1-29-23-11-7-12-24(30-2)26(23)22-10-6-13-25(28)27(22)18-19-14-16-21(17-15-19)31-20-8-4-3-5-9-20/h3-5,7-9,11-12,14-17,22H,6,10,13,18H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447785
PNG
(CHEMBL3113771 | US9242970, 393)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1
Show InChI InChI=1S/C22H24N2O3S/c1-13-10-17(21-18(26-3)6-5-7-19(21)27-4)24(22(13)25)12-15-8-9-20-16(11-15)23-14(2)28-20/h5-9,11,13,17H,10,12H2,1-4H3
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n/an/a 32n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447815
PNG
(CHEMBL3113741 | US9242970, 2)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2sc(C)nc2c1
Show InChI InChI=1S/C22H24N2O3S/c1-14-23-16-12-15(10-11-20(16)28-14)13-24-17(6-4-9-21(24)25)22-18(26-2)7-5-8-19(22)27-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3
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n/an/a 32n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447813
PNG
(CHEMBL3113743 | US9242970, 11)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c1-29-22-14-8-15-23(30-2)25(22)21-13-7-16-24(28)27(21)17-19-11-6-12-20(26-19)18-9-4-3-5-10-18/h3-6,8-12,14-15,21H,7,13,16-17H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447812
PNG
(CHEMBL3113744 | US9242970, 12)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c1-29-22-11-7-12-23(30-2)25(22)21-10-6-13-24(28)27(21)17-18-14-15-26-20(16-18)19-8-4-3-5-9-19/h3-5,7-9,11-12,14-16,21H,6,10,13,17H2,1-2H3
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n/an/a 34n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447767
PNG
(CHEMBL3113546 | US9242970, 207)
Show SMILES CCCOc1ccc(CN2C(CCCC2=O)c2c(OC)cccc2OC)cc1
Show InChI InChI=1S/C23H29NO4/c1-4-15-28-18-13-11-17(12-14-18)16-24-19(7-5-10-22(24)25)23-20(26-2)8-6-9-21(23)27-3/h6,8-9,11-14,19H,4-5,7,10,15-16H2,1-3H3
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n/an/a 35n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447776
PNG
(CHEMBL3113538 | US9242970, 212)
Show SMILES CCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-3-29-19-8-5-7-18(28-2)21(19)17-6-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447797
PNG
(CHEMBL3113759 | US9242970, 216)
Show SMILES COc1cccc(OC)c1C1CCC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14-7-12-17(20-18(28-2)5-4-6-19(20)29-3)26(21(14)27)13-15-8-10-16(11-9-15)30-22(23,24)25/h4-6,8-11,14,17H,7,12-13H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447762
PNG
(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447762
PNG
(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447765
PNG
(CHEMBL3113548 | US9242970, 179)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H27NO4/c1-29-23-14-8-15-24(30-2)26(23)22-13-7-16-25(28)27(22)18-19-9-6-12-21(17-19)31-20-10-4-3-5-11-20/h3-6,8-12,14-15,17,22H,7,13,16,18H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447813
PNG
(CHEMBL3113743 | US9242970, 11)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c1-29-22-14-8-15-23(30-2)25(22)21-13-7-16-24(28)27(21)17-19-11-6-12-20(26-19)18-9-4-3-5-10-18/h3-6,8-12,14-15,21H,7,13,16-17H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447791
PNG
(CHEMBL3113765)
Show SMILES COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3/t13-,16+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447805
PNG
(CHEMBL3113751 | US9242970, 35)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O3S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-17-15-29-23(24-17)16-8-4-3-5-9-16/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447818
PNG
(CHEMBL3113552 | US9242970, 238)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C24H25NO3/c1-27-21-10-6-11-22(28-2)24(21)20-9-5-12-23(26)25(20)16-17-13-14-18-7-3-4-8-19(18)15-17/h3-4,6-8,10-11,13-15,20H,5,9,12,16H2,1-2H3
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n/an/a 47n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447762
PNG
(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447802
PNG
(CHEMBL3113754 | US9242970, 440)
Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3
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n/an/a 54n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447763
PNG
(CHEMBL3113550 | US9242970, 189)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H27NO3/c1-29-23-14-8-15-24(30-2)26(23)22-13-7-16-25(28)27(22)18-19-9-6-12-21(17-19)20-10-4-3-5-11-20/h3-6,8-12,14-15,17,22H,7,13,16,18H2,1-2H3
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n/an/a 65n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447801
PNG
(CHEMBL3113755 | US9242970, 441)
Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C25H25N3O3S/c1-15-26-19-10-11-22(30-3)24(25(19)31-15)21-8-5-9-23(29)28(21)13-17-6-4-7-18(12-17)20-14-32-16(2)27-20/h4,6-7,10-12,14,21H,5,8-9,13H2,1-3H3
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n/an/a 65n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447764
PNG
(CHEMBL3113549 | US9242970, 244)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27NO3/c1-29-23-11-7-12-24(30-2)26(23)22-10-6-13-25(28)27(22)18-19-14-16-21(17-15-19)20-8-4-3-5-9-20/h3-5,7-9,11-12,14-17,22H,6,10,13,18H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447781
PNG
(CHEMBL3113775 | US9242970, 193)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-28-18-7-5-8-19(29-2)21(18)17-6-3-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3
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n/an/a 74n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447818
PNG
(CHEMBL3113552 | US9242970, 238)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C24H25NO3/c1-27-21-10-6-11-22(28-2)24(21)20-9-5-12-23(26)25(20)16-17-13-14-18-7-3-4-8-19(18)15-17/h3-4,6-8,10-11,13-15,20H,5,9,12,16H2,1-2H3
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n/an/a 77n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447806
PNG
(CHEMBL3113750 | US9242970, 52)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-n1cccn1
Show InChI InChI=1S/C22H24N4O3/c1-28-18-7-4-8-19(29-2)22(18)17-6-3-9-21(27)25(17)15-16-10-12-23-20(14-16)26-13-5-11-24-26/h4-5,7-8,10-14,17H,3,6,9,15H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447800
PNG
(CHEMBL3113756 | US9242970, 266)
Show SMILES COc1cccc(OC)c1C1COCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO5/c1-26-16-4-3-5-17(27-2)19(16)15-11-28-12-18(25)24(15)10-13-6-8-14(9-7-13)29-20(21,22)23/h3-9,15H,10-12H2,1-2H3
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n/an/a 86n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447802
PNG
(CHEMBL3113754 | US9242970, 440)
Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3
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n/an/a 93n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447768
PNG
(CHEMBL3113545 | US9242970, 175)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C21H22F3NO4/c1-27-17-9-5-10-18(28-2)20(17)16-8-4-11-19(26)25(16)13-14-6-3-7-15(12-14)29-21(22,23)24/h3,5-7,9-10,12,16H,4,8,11,13H2,1-2H3
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n/an/a 94n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447774
PNG
(CHEMBL3113540 | US9242970, 172)
Show SMILES COc1cc(OC)c(C2CCCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c(OC)c1
Show InChI InChI=1S/C22H24F3NO5/c1-28-16-11-18(29-2)21(19(12-16)30-3)17-5-4-6-20(27)26(17)13-14-7-9-15(10-8-14)31-22(23,24)25/h7-12,17H,4-6,13H2,1-3H3
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n/an/a 106n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447793
PNG
(CHEMBL3113763 | US9242970, 218)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3
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n/an/a 107n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447791
PNG
(CHEMBL3113765)
Show SMILES COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3/t13-,16+/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447792
PNG
(CHEMBL3113764)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3/t13-,16-/m0/s1
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n/an/a 121n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447785
PNG
(CHEMBL3113771 | US9242970, 393)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1
Show InChI InChI=1S/C22H24N2O3S/c1-13-10-17(21-18(26-3)6-5-7-19(21)27-4)24(22(13)25)12-15-8-9-20-16(11-15)23-14(2)28-20/h5-9,11,13,17H,10,12H2,1-4H3
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n/an/a 122n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447792
PNG
(CHEMBL3113764)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3/t13-,16-/m0/s1
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n/an/a 128n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447793
PNG
(CHEMBL3113763 | US9242970, 218)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3
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n/an/a 133n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447768
PNG
(CHEMBL3113545 | US9242970, 175)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C21H22F3NO4/c1-27-17-9-5-10-18(28-2)20(17)16-8-4-11-19(26)25(16)13-14-6-3-7-15(12-14)29-21(22,23)24/h3,5-7,9-10,12,16H,4,8,11,13H2,1-2H3
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n/an/a 136n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447803
PNG
(CHEMBL3113753 | US9242970, 56)
Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c1-27-18-11-12-23-21(28-2)20(18)17-9-6-10-19(26)25(17)13-16-14-29-22(24-16)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,17H,6,9-10,13H2,1-2H3
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n/an/a 141n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447769
PNG
(CHEMBL3113544 | US9242970, 184)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1C(C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14(15-10-12-16(13-11-15)30-22(23,24)25)26-17(6-4-9-20(26)27)21-18(28-2)7-5-8-19(21)29-3/h5,7-8,10-14,17H,4,6,9H2,1-3H3
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n/an/a 142n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447778
PNG
(CHEMBL3113536 | US9242970, 221)
Show SMILES COc1cccc(Cl)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H19ClF3NO3/c1-27-17-6-2-4-15(21)19(17)16-5-3-7-18(26)25(16)12-13-8-10-14(11-9-13)28-20(22,23)24/h2,4,6,8-11,16H,3,5,7,12H2,1H3
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n/an/a 154n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447816
PNG
(CHEMBL3113740 | US9242970, 3)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ncccc2c1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-4-9-21(28-2)23(20)19-7-3-10-22(26)25(19)15-16-11-12-18-17(14-16)6-5-13-24-18/h4-6,8-9,11-14,19H,3,7,10,15H2,1-2H3
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n/an/a 154n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447784
PNG
(CHEMBL3113772)
Show SMILES COc1cccc(OC)c1C1SCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3NO4S/c1-25-14-4-3-5-15(26-2)17(14)18-23(16(24)11-28-18)10-12-6-8-13(9-7-12)27-19(20,21)22/h3-9,18H,10-11H2,1-2H3
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n/an/a 155n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447783
PNG
(CHEMBL3113773 | US9242970, 196)
Show SMILES COc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO4/c1-26-16-4-3-5-17(27-2)19(16)15-10-11-18(25)24(15)12-13-6-8-14(9-7-13)28-20(21,22)23/h3-9,15H,10-12H2,1-2H3
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n/an/a 158n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447777
PNG
(CHEMBL3113537 | US9242970, 220)
Show SMILES COc1cccc(F)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H19F4NO3/c1-27-17-6-2-4-15(21)19(17)16-5-3-7-18(26)25(16)12-13-8-10-14(11-9-13)28-20(22,23)24/h2,4,6,8-11,16H,3,5,7,12H2,1H3
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n/an/a 161n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447767
PNG
(CHEMBL3113546 | US9242970, 207)
Show SMILES CCCOc1ccc(CN2C(CCCC2=O)c2c(OC)cccc2OC)cc1
Show InChI InChI=1S/C23H29NO4/c1-4-15-28-18-13-11-17(12-14-18)16-24-19(7-5-10-22(24)25)23-20(26-2)8-6-9-21(23)27-3/h6,8-9,11-14,19H,4-5,7,10,15-16H2,1-3H3
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n/an/a 169n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447776
PNG
(CHEMBL3113538 | US9242970, 212)
Show SMILES CCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-3-29-19-8-5-7-18(28-2)21(19)17-6-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3
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n/an/a 216n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447817
PNG
(CHEMBL3113739 | US9242970, 1)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc2ccccc2c1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-16-13-17-7-3-4-8-18(17)24-14-16/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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n/an/a 217n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447765
PNG
(CHEMBL3113548 | US9242970, 179)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H27NO4/c1-29-23-14-8-15-24(30-2)26(23)22-13-7-16-25(28)27(22)18-19-9-6-12-21(17-19)31-20-10-4-3-5-11-20/h3-6,8-12,14-15,17,22H,7,13,16,18H2,1-2H3
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n/an/a 225n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447790
PNG
(CHEMBL3113766 | US9242970, 217)
Show SMILES COc1cccc(OC)c1C1CC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-21(2)12-16(19-17(28-3)6-5-7-18(19)29-4)26(20(21)27)13-14-8-10-15(11-9-14)30-22(23,24)25/h5-11,16H,12-13H2,1-4H3
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n/an/a 252n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447781
PNG
(CHEMBL3113775 | US9242970, 193)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-28-18-7-5-8-19(29-2)21(18)17-6-3-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3
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n/an/a 264n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447779
PNG
(CHEMBL3113535 | US9242970, 222)
Show SMILES COc1cccc(C)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO3/c1-14-5-3-7-18(27-2)20(14)17-6-4-8-19(26)25(17)13-15-9-11-16(12-10-15)28-21(22,23)24/h3,5,7,9-12,17H,4,6,8,13H2,1-2H3
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n/an/a 268n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447782
PNG
(CHEMBL3113774 | US9242970, 156)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO4/c1-27-17-6-4-7-18(28-2)20(17)16-5-3-8-19(26)25(16)13-14-9-11-15(12-10-14)29-21(22,23)24/h4,6-7,9-12,16H,3,5,8,13H2,1-2H3
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n/an/a 284n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447796
PNG
(CHEMBL3113760 | US9242970, 173)
Show SMILES COc1cccc(OC)c1C1CC(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14-11-17(21-18(28-2)5-4-6-19(21)29-3)26(20(27)12-14)13-15-7-9-16(10-8-15)30-22(23,24)25/h4-10,14,17H,11-13H2,1-3H3
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n/an/a 297n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447762
PNG
(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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n/an/a 329n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447774
PNG
(CHEMBL3113540 | US9242970, 172)
Show SMILES COc1cc(OC)c(C2CCCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c(OC)c1
Show InChI InChI=1S/C22H24F3NO5/c1-28-16-11-18(29-2)21(19(12-16)30-3)17-5-4-6-20(27)26(17)13-14-7-9-15(10-8-14)31-22(23,24)25/h7-12,17H,4-6,13H2,1-3H3
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n/an/a 330n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447775
PNG
(CHEMBL3113539 | US9242970, 231)
Show SMILES CCOc1cccc(OCC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H26F3NO4/c1-3-29-19-8-6-9-20(30-4-2)22(19)18-7-5-10-21(28)27(18)15-16-11-13-17(14-12-16)31-23(24,25)26/h6,8-9,11-14,18H,3-5,7,10,15H2,1-2H3
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n/an/a 395n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447798
PNG
(CHEMBL3113758 | US9242970, 268)
Show SMILES COc1cccc(OC)c1C1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24/h4-10,16H,11-13H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447800
PNG
(CHEMBL3113756 | US9242970, 266)
Show SMILES COc1cccc(OC)c1C1COCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO5/c1-26-16-4-3-5-17(27-2)19(16)15-11-28-12-18(25)24(15)10-13-6-8-14(9-7-13)29-20(21,22)23/h3-9,15H,10-12H2,1-2H3
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n/an/a 412n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447772
PNG
(CHEMBL3113541)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C20H23NO3/c1-23-17-11-7-12-18(24-2)20(17)16-10-6-13-19(22)21(16)14-15-8-4-3-5-9-15/h3-5,7-9,11-12,16H,6,10,13-14H2,1-2H3
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n/an/a 416n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447819
PNG
(CHEMBL3113551 | US9242970, 190)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H27NO3/c1-29-23-15-9-16-24(30-2)26(23)22-14-8-17-25(28)27(22)18-20-12-6-7-13-21(20)19-10-4-3-5-11-19/h3-7,9-13,15-16,22H,8,14,17-18H2,1-2H3
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n/an/a 507n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447766
PNG
(CHEMBL3113547 | US9242970, 164)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO4/c1-29-23-11-7-12-24(30-2)26(23)22-10-6-13-25(28)27(22)18-19-14-16-21(17-15-19)31-20-8-4-3-5-9-20/h3-5,7-9,11-12,14-17,22H,6,10,13,18H2,1-2H3
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n/an/a 531n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447796
PNG
(CHEMBL3113760 | US9242970, 173)
Show SMILES COc1cccc(OC)c1C1CC(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14-11-17(21-18(28-2)5-4-6-19(21)29-3)26(20(27)12-14)13-15-7-9-16(10-8-15)30-22(23,24)25/h4-10,14,17H,11-13H2,1-3H3
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n/an/a 537n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447775
PNG
(CHEMBL3113539 | US9242970, 231)
Show SMILES CCOc1cccc(OCC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H26F3NO4/c1-3-29-19-8-6-9-20(30-4-2)22(19)18-7-5-10-21(28)27(18)15-16-11-13-17(14-12-16)31-23(24,25)26/h6,8-9,11-14,18H,3-5,7,10,15H2,1-2H3
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n/an/a 550n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447799
PNG
(CHEMBL3113757 | US9242970, 267)
Show SMILES COc1cccc(OC)c1C1CNCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O4/c1-27-16-4-3-5-17(28-2)19(16)15-10-24-11-18(26)25(15)12-13-6-8-14(9-7-13)29-20(21,22)23/h3-9,15,24H,10-12H2,1-2H3
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n/an/a 589n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447780
PNG
(CHEMBL3113534 | US9242970, 237)
Show SMILES COc1ccccc1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO3/c1-26-18-7-3-2-5-16(18)17-6-4-8-19(25)24(17)13-14-9-11-15(12-10-14)27-20(21,22)23/h2-3,5,7,9-12,17H,4,6,8,13H2,1H3
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n/an/a 635n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447817
PNG
(CHEMBL3113739 | US9242970, 1)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc2ccccc2c1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-16-13-17-7-3-4-8-18(17)24-14-16/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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n/an/a 675n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447783
PNG
(CHEMBL3113773 | US9242970, 196)
Show SMILES COc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO4/c1-26-16-4-3-5-17(27-2)19(16)15-10-11-18(25)24(15)12-13-6-8-14(9-7-13)28-20(21,22)23/h3-9,15H,10-12H2,1-2H3
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n/an/a 724n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447789
PNG
(CHEMBL3113767)
Show SMILES COc1cccc(OC)c1C1COC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3NO5/c1-25-15-4-3-5-16(26-2)17(15)14-11-27-18(24)23(14)10-12-6-8-13(9-7-12)28-19(20,21)22/h3-9,14H,10-11H2,1-2H3
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n/an/a 771n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447797
PNG
(CHEMBL3113759 | US9242970, 216)
Show SMILES COc1cccc(OC)c1C1CCC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14-7-12-17(20-18(28-2)5-4-6-19(20)29-3)26(21(14)27)13-15-8-10-16(11-9-15)30-22(23,24)25/h4-6,8-11,14,17H,7,12-13H2,1-3H3
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n/an/a 894n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447816
PNG
(CHEMBL3113740 | US9242970, 3)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ncccc2c1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-4-9-21(28-2)23(20)19-7-3-10-22(26)25(19)15-16-11-12-18-17(14-16)6-5-13-24-18/h4-6,8-9,11-14,19H,3,7,10,15H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447787
PNG
(CHEMBL3113769)
Show SMILES COc1cccc(OC)c1C1C2CC2C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3NO4/c1-27-16-4-3-5-17(28-2)18(16)19-14-10-15(14)20(26)25(19)11-12-6-8-13(9-7-12)29-21(22,23)24/h3-9,14-15,19H,10-11H2,1-2H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447794
PNG
(CHEMBL3113762 | US9242970, 174)
Show SMILES COc1cccc(OC)c1C1CC(C)(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H26F3NO4/c1-22(2)12-17(21-18(29-3)6-5-7-19(21)30-4)27(20(28)13-22)14-15-8-10-16(11-9-15)31-23(24,25)26/h5-11,17H,12-14H2,1-4H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447764
PNG
(CHEMBL3113549 | US9242970, 244)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27NO3/c1-29-23-11-7-12-24(30-2)26(23)22-10-6-13-25(28)27(22)18-19-14-16-21(17-15-19)20-8-4-3-5-9-20/h3-5,7-9,11-12,14-17,22H,6,10,13,18H2,1-2H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447787
PNG
(CHEMBL3113769)
Show SMILES COc1cccc(OC)c1C1C2CC2C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H20F3NO4/c1-27-16-4-3-5-17(28-2)18(16)19-14-10-15(14)20(26)25(19)11-12-6-8-13(9-7-12)29-21(22,23)24/h3-9,14-15,19H,10-11H2,1-2H3
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n/an/a 1.15E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447777
PNG
(CHEMBL3113537 | US9242970, 220)
Show SMILES COc1cccc(F)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H19F4NO3/c1-27-17-6-2-4-15(21)19(17)16-5-3-7-18(26)25(16)12-13-8-10-14(11-9-13)28-20(22,23)24/h2,4,6,8-11,16H,3,5,7,12H2,1H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447798
PNG
(CHEMBL3113758 | US9242970, 268)
Show SMILES COc1cccc(OC)c1C1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24/h4-10,16H,11-13H2,1-3H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447795
PNG
(CHEMBL3113761 | US9242970, 215)
Show SMILES COc1cccc(OC)c1C1CCC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H26F3NO4/c1-22(2)13-12-17(20-18(29-3)6-5-7-19(20)30-4)27(21(22)28)14-15-8-10-16(11-9-15)31-23(24,25)26/h5-11,17H,12-14H2,1-4H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447770
PNG
(CHEMBL3113543)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1CCc1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-24-18-11-7-12-19(25-2)21(18)17-10-6-13-20(23)22(17)15-14-16-8-4-3-5-9-16/h3-5,7-9,11-12,17H,6,10,13-15H2,1-2H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447795
PNG
(CHEMBL3113761 | US9242970, 215)
Show SMILES COc1cccc(OC)c1C1CCC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H26F3NO4/c1-22(2)13-12-17(20-18(29-3)6-5-7-19(20)30-4)27(21(22)28)14-15-8-10-16(11-9-15)31-23(24,25)26/h5-11,17H,12-14H2,1-4H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447762
PNG
(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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n/an/a 1.42E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447773
PNG
(CHEMBL3112599)
Show SMILES COc1cc(OC)c(C2CCCCN2Cc2ccc(OC(F)(F)F)cc2)c(OC)c1
Show InChI InChI=1S/C22H26F3NO4/c1-27-17-12-19(28-2)21(20(13-17)29-3)18-6-4-5-11-26(18)14-15-7-9-16(10-8-15)30-22(23,24)25/h7-10,12-13,18H,4-6,11,14H2,1-3H3
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n/an/a 1.59E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447794
PNG
(CHEMBL3113762 | US9242970, 174)
Show SMILES COc1cccc(OC)c1C1CC(C)(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H26F3NO4/c1-22(2)12-17(21-18(29-3)6-5-7-19(21)30-4)27(20(28)13-22)14-15-8-10-16(11-9-15)31-23(24,25)26/h5-11,17H,12-14H2,1-4H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447819
PNG
(CHEMBL3113551 | US9242970, 190)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H27NO3/c1-29-23-15-9-16-24(30-2)26(23)22-14-8-17-25(28)27(22)18-20-12-6-7-13-21(20)19-10-4-3-5-11-19/h3-7,9-13,15-16,22H,8,14,17-18H2,1-2H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447772
PNG
(CHEMBL3113541)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C20H23NO3/c1-23-17-11-7-12-18(24-2)20(17)16-10-6-13-19(22)21(16)14-15-8-4-3-5-9-15/h3-5,7-9,11-12,16H,6,10,13-14H2,1-2H3
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n/an/a 2.42E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447789
PNG
(CHEMBL3113767)
Show SMILES COc1cccc(OC)c1C1COC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H18F3NO5/c1-25-15-4-3-5-16(26-2)17(15)14-11-27-18(24)23(14)10-12-6-8-13(9-7-12)28-19(20,21)22/h3-9,14H,10-11H2,1-2H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447799
PNG
(CHEMBL3113757 | US9242970, 267)
Show SMILES COc1cccc(OC)c1C1CNCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N2O4/c1-27-16-4-3-5-17(28-2)19(16)15-10-24-11-18(26)25(15)12-13-6-8-14(9-7-13)29-20(21,22)23/h3-9,15,24H,10-12H2,1-2H3
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n/an/a 2.68E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447780
PNG
(CHEMBL3113534 | US9242970, 237)
Show SMILES COc1ccccc1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H20F3NO3/c1-26-18-7-3-2-5-16(18)17-6-4-8-19(25)24(17)13-14-9-11-15(12-10-14)27-20(21,22)23/h2-3,5,7,9-12,17H,4,6,8,13H2,1H3
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n/an/a 3.49E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447779
PNG
(CHEMBL3113535 | US9242970, 222)
Show SMILES COc1cccc(C)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C21H22F3NO3/c1-14-5-3-7-18(27-2)20(14)17-6-4-8-19(26)25(17)13-15-9-11-16(12-10-15)28-21(22,23)24/h3,5,7,9-12,17H,4,6,8,13H2,1-2H3
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n/an/a 4.39E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447778
PNG
(CHEMBL3113536 | US9242970, 221)
Show SMILES COc1cccc(Cl)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H19ClF3NO3/c1-27-17-6-2-4-15(21)19(17)16-5-3-7-18(26)25(16)12-13-8-10-14(11-9-13)28-20(22,23)24/h2,4,6,8-11,16H,3,5,7,12H2,1H3
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n/an/a 4.88E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447770
PNG
(CHEMBL3113543)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1CCc1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-24-18-11-7-12-19(25-2)21(18)17-10-6-13-20(23)22(17)15-14-16-8-4-3-5-9-16/h3-5,7-9,11-12,17H,6,10,13-15H2,1-2H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447771
PNG
(CHEMBL3113542)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1c1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-22-16-11-7-12-17(23-2)19(16)15-10-6-13-18(21)20(15)14-8-4-3-5-9-14/h3-5,7-9,11-12,15H,6,10,13H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447773
PNG
(CHEMBL3112599)
Show SMILES COc1cc(OC)c(C2CCCCN2Cc2ccc(OC(F)(F)F)cc2)c(OC)c1
Show InChI InChI=1S/C22H26F3NO4/c1-27-17-12-19(28-2)21(20(13-17)29-3)18-6-4-5-11-26(18)14-15-7-9-16(10-8-15)30-22(23,24)25/h7-10,12-13,18H,4-6,11,14H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447788
PNG
(CHEMBL3113768)
Show SMILES COc1cccc(OC)c1C1N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C24H20F3NO4/c1-30-19-8-5-9-20(31-2)21(19)22-17-6-3-4-7-18(17)23(29)28(22)14-15-10-12-16(13-11-15)32-24(25,26)27/h3-13,22H,14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447788
PNG
(CHEMBL3113768)
Show SMILES COc1cccc(OC)c1C1N(Cc2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C24H20F3NO4/c1-30-19-8-5-9-20(31-2)21(19)22-17-6-3-4-7-18(17)23(29)28(22)14-15-10-12-16(13-11-15)32-24(25,26)27/h3-13,22H,14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447771
PNG
(CHEMBL3113542)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1c1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-22-16-11-7-12-17(23-2)19(16)15-10-6-13-18(21)20(15)14-8-4-3-5-9-14/h3-5,7-9,11-12,15H,6,10,13H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50447762
PNG
(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50447762
PNG
(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 1201-8 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.092
BindingDB Entry DOI: 10.7270/Q2M61MRZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%