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Compile Data Set for Download or QSAR

Found 1054 hits with Last Name = 'gatfield' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50436391
PNG
(CHEMBL2396865)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(OC(F)F)cc3)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H29ClF2N4O2/c1-3-21-31-24(27)23-20(14-11-17-9-12-19(13-10-17)35-26(28)29)32(15-16-33(21)23)22(25(34)30-2)18-7-5-4-6-8-18/h4-10,12-13,20,22,26H,3,11,14-16H2,1-2H3,(H,30,34)/t20-,22+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 3857-63 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192668
PNG
(CHEMBL1684950)
Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r|
Show InChI InChI=1/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/s2
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n/an/a 1.20n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192668
PNG
(CHEMBL1684950)
Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r|
Show InChI InChI=1/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/s2
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n/an/a 1.5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50436376
PNG
(CHEMBL2396842)
Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(OC(F)F)c(F)c1)C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28ClF3N4O2/c1-32-26(36)22(17-5-3-2-4-6-17)34-13-14-35-23(24(28)33-25(35)18-9-10-18)20(34)11-7-16-8-12-21(19(29)15-16)37-27(30)31/h2-6,8,12,15,18,20,22,27H,7,9-11,13-14H2,1H3,(H,32,36)/t20-,22+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 3857-63 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71
More data for this
Ligand-Target Pair
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))
BDBM154928
PNG
(US9000029, 7)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H19ClN2O3S2/c1-25-15-7-3-6-14(12-15)20-18(22)17-9-4-10-21(17)26(23,24)16-8-2-5-13(19)11-16/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50074056
PNG
(CHEMBL3409873)
Show SMILES COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C24H19F2NO3/c1-29-22-8-4-6-17(25)23(22)19-12-18(26)24(28)27(19)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19H,12-13H2,1H3/t18-,19-/s2
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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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM154935
PNG
(US9000029, 14)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C18H18Cl2N2O3S2/c1-26-13-5-2-4-12(10-13)21-18(23)17-6-3-9-22(17)27(24,25)14-7-8-15(19)16(20)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM154932
PNG
(US9000029, 11)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c1
Show InChI InChI=1S/C18H19BrN2O3S2/c1-25-15-7-3-6-14(12-15)20-18(22)17-9-4-10-21(17)26(23,24)16-8-2-5-13(19)11-16/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50074058
PNG
(CHEMBL3409871)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C25H22ClNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/s2
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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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50074059
PNG
(CHEMBL3409870)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C25H22FNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/s2
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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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50293232
PNG
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cnc(C)cn1
Show InChI InChI=1S/C25H30ClN5O5S/c1-7-30(24-15-27-17(2)14-28-24)25(32)16-31(21-12-18(29(3)4)8-10-20(21)26)37(33,34)19-9-11-22(35-5)23(13-19)36-6/h8-15H,7,16H2,1-6H3
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n/an/a 3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50313172
PNG
((R)-2-((S)-1-ethyl-4-(4-ethylphenethyl)-3-methyl-6...)
Show SMILES CCc1ccc(CC[C@@H]2N(CCc3c2c(C)nn3CC)[C@@H](C(=O)NC)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H36N4O/c1-5-21-12-14-22(15-13-21)16-17-24-26-20(3)30-32(6-2)25(26)18-19-31(24)27(28(33)29-4)23-10-8-7-9-11-23/h7-15,24,27H,5-6,16-19H2,1-4H3,(H,29,33)/t24-,27+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 1539-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.070
BindingDB Entry DOI: 10.7270/Q2FB5324
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50313179
PNG
((R)-2-((S)-1-ethyl-3-methyl-4-(4-(trifluoromethyl)...)
Show SMILES CCn1nc(C)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCc12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C27H31F3N4O/c1-4-34-23-16-17-33(25(26(35)31-3)20-8-6-5-7-9-20)22(24(23)18(2)32-34)15-12-19-10-13-21(14-11-19)27(28,29)30/h5-11,13-14,22,25H,4,12,15-17H2,1-3H3,(H,31,35)/t22-,25+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 1539-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.070
BindingDB Entry DOI: 10.7270/Q2FB5324
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))
BDBM50074053
PNG
(CHEMBL3409876)
Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/s2
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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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM154927
PNG
(US9000029, 6)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(SC)c1
Show InChI InChI=1S/C19H22N2O4S2/c1-25-15-8-10-17(11-9-15)27(23,24)21-12-4-7-18(21)19(22)20-14-5-3-6-16(13-14)26-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,20,22)/t18-/m0/s1
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n/an/a 3n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM154931
PNG
(US9000029, 10)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(SC)c1
Show InChI InChI=1S/C20H24N2O5S2/c1-26-18-10-9-16(13-19(18)27-2)29(24,25)22-11-5-8-17(22)20(23)21-14-6-4-7-15(12-14)28-3/h4,6-7,9-10,12-13,17H,5,8,11H2,1-3H3,(H,21,23)/t17-/m0/s1
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n/an/a 3n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM154933
PNG
(US9000029, 12)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)c1
Show InChI InChI=1S/C19H21ClN2O3S2/c1-13-8-9-16(12-17(13)20)27(24,25)22-10-4-7-18(22)19(23)21-14-5-3-6-15(11-14)26-2/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,21,23)/t18-/m0/s1
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n/an/a 3n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50074059
PNG
(CHEMBL3409870)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C25H22FNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/s2
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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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
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 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 2


(Homo sapiens (Human))
BDBM50436393
PNG
(CHEMBL2396863)
Show SMILES CCc1nc(Cl)c2[C@H](COc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-7-10-17(14-18)25(27,28)29)32(12-13-33(20)22)21(24(34)30-2)16-8-5-4-6-9-16/h4-11,14,19,21H,3,12-13,15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 3857-63 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50293222
PNG
(2-(N-(2-cyano-4-methylphenyl)-3,4-dimethoxyphenyls...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H27N3O5S/c1-6-24(7-2)22(26)15-25(19-10-8-16(3)12-17(19)14-23)31(27,28)18-9-11-20(29-4)21(13-18)30-5/h8-13H,6-7,15H2,1-5H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM154969
PNG
(US9000029, 48)
Show SMILES COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C21H26N2O4S/c1-14-7-8-19(27-4)20(13-14)28(25,26)23-9-5-6-18(23)21(24)22-17-11-15(2)10-16(3)12-17/h7-8,10-13,18H,5-6,9H2,1-4H3,(H,22,24)/t18-/m0/s1
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n/an/a 4n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50293234
PNG
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cc(C)n(C)n1
Show InChI InChI=1S/C25H32ClN5O5S/c1-8-30(24-13-17(2)29(5)27-24)25(32)16-31(21-14-18(28(3)4)9-11-20(21)26)37(33,34)19-10-12-22(35-6)23(15-19)36-7/h9-15H,8,16H2,1-7H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50074057
PNG
(CHEMBL3409872)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C25H23NO5/c1-29-22-8-5-9-23(30-2)24(22)18-13-19(27)25(28)26(18)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19,27H,13-14H2,1-2H3/t18-,19+/s2
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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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50074053
PNG
(CHEMBL3409876)
Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/s2
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human OX2R


Bioorg Med Chem Lett 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50293230
PNG
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)
Show SMILES CCN(CC)C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H26ClN3O5S2/c1-6-25(7-2)22(27)13-26(18-11-16-14(3)24-32-21(16)12-17(18)23)33(28,29)15-8-9-19(30-4)20(10-15)31-5/h8-12H,6-7,13H2,1-5H3
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n/an/a 4.5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50436382
PNG
(CHEMBL2396836)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(F)c3F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C25H26ClF3N4O/c1-3-19-31-24(26)23-18(12-10-15-9-11-17(27)21(29)20(15)28)32(13-14-33(19)23)22(25(34)30-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,30,34)/t18-,22+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 3857-63 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50292976
PNG
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H30ClN3O5S/c1-7-25(8-2)22(27)15-26(19-13-16(24(3)4)9-11-18(19)23)32(28,29)17-10-12-20(30-5)21(14-17)31-6/h9-14H,7-8,15H2,1-6H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50293231
PNG
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1
Show InChI InChI=1S/C26H31ClN4O5S/c1-7-30(25-10-8-9-18(2)28-25)26(32)17-31(22-15-19(29(3)4)11-13-21(22)27)37(33,34)20-12-14-23(35-5)24(16-20)36-6/h8-16H,7,17H2,1-6H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50293235
PNG
(2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,...)
Show SMILES CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccn1
Show InChI InChI=1S/C25H25ClN4O5S2/c1-5-29(24-8-6-7-11-27-24)25(31)15-30(20-13-18-16(2)28-36-23(18)14-19(20)26)37(32,33)17-9-10-21(34-3)22(12-17)35-4/h6-14H,5,15H2,1-4H3
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
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 1


(Homo sapiens (Human))
BDBM154933
PNG
(US9000029, 12)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(Cl)c2)c1
Show InChI InChI=1S/C19H21ClN2O3S2/c1-13-8-9-16(12-17(13)20)27(24,25)22-10-4-7-18(22)19(23)21-14-5-3-6-15(11-14)26-2/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,21,23)/t18-/m0/s1
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n/an/a 5n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50074058
PNG
(CHEMBL3409871)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C25H22ClNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/s2
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n/an/a 5n/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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50074055
PNG
(CHEMBL3409874)
Show SMILES COc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C24H19ClFNO3/c1-29-22-8-4-6-18(26)23(22)19-12-17(25)24(28)27(19)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,17,19H,12-13H2,1H3/t17-,19-/s2
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n/an/a 5n/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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50074054
PNG
(CHEMBL3409875)
Show SMILES COc1cccc(F)c1C1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
Show InChI InChI=1/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18?,19-/s2
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n/an/a 5n/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 25: 1884-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.035
BindingDB Entry DOI: 10.7270/Q2F76F7V
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50293232
PNG
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cnc(C)cn1
Show InChI InChI=1S/C25H30ClN5O5S/c1-7-30(24-15-27-17(2)14-28-24)25(32)16-31(21-12-18(29(3)4)8-10-20(21)26)37(33,34)19-9-11-22(35-5)23(13-19)36-6/h8-15H,7,16H2,1-6H3
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n/an/a 5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50292965
PNG
(2-(4-tert-butyl-N-p-tolylphenylsulfonamido)-N,N-di...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H32N2O3S/c1-7-24(8-2)22(26)17-25(20-13-9-18(3)10-14-20)29(27,28)21-15-11-19(12-16-21)23(4,5)6/h9-16H,7-8,17H2,1-6H3
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n/an/a 5n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM154947
PNG
(US9000029, 26)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1
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n/an/a 5n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50313170
PNG
(2-(1-ethyl-3-methyl-4-(4-methylphenethyl)-6,7-dihy...)
Show SMILES CCn1nc(C)c2C(CCc3ccc(C)cc3)N(CCc12)C(C(=O)NC)c1ccccc1
Show InChI InChI=1S/C27H34N4O/c1-5-31-24-17-18-30(26(27(32)28-4)22-9-7-6-8-10-22)23(25(24)20(3)29-31)16-15-21-13-11-19(2)12-14-21/h6-14,23,26H,5,15-18H2,1-4H3,(H,28,32)
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n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 20: 1539-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.070
BindingDB Entry DOI: 10.7270/Q2FB5324
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C |r|
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50293234
PNG
(2-(N-(2-chloro-5-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(C(=O)CN(c1cc(ccc1Cl)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cc(C)n(C)n1
Show InChI InChI=1S/C25H32ClN5O5S/c1-8-30(24-13-17(2)29(5)27-24)25(32)16-31(21-14-18(28(3)4)9-11-20(21)26)37(33,34)19-10-12-22(35-6)23(15-19)36-7/h9-15H,8,16H2,1-7H3
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n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 5729-33 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.079
BindingDB Entry DOI: 10.7270/Q2WD40MD
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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n/an/a 6n/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))
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 6n/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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM372453
PNG
(N-[2-(3,4-Difluoro-benzyl)-2H-[1,2,3]triazol-4-yl]...)
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n/an/a 6.40n/an/an/an/an/an/a



University of Alberta





J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
More data for this
Ligand-Target Pair
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