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PubMed code 18845436

Compile data set for download or QSAR
Found 74 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
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))
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 4n/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))
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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n/an/a 4n/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))
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 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))
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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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))
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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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))
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))
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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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 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))
BDBM50293233
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)c1ccn(C)n1
Show InChI InChI=1S/C24H30ClN5O5S/c1-7-29(23-12-13-28(4)26-23)24(31)16-30(20-14-17(27(2)3)8-10-19(20)25)36(32,33)18-9-11-21(34-5)22(15-18)35-6/h8-15H,7,16H2,1-6H3
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n/an/a 7n/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))
BDBM50293236
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)c1cccc(C)n1
Show InChI InChI=1S/C26H27ClN4O5S2/c1-6-30(25-9-7-8-16(2)28-25)26(32)15-31(21-13-19-17(3)29-37-24(19)14-20(21)27)38(33,34)18-10-11-22(35-4)23(12-18)36-5/h7-14H,6,15H2,1-5H3
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n/an/a 7n/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))
BDBM50293224
PNG
(2-(N-(2-chloro-5-methylphenyl)-3,4-dimethoxyphenyl...)
Show SMILES CCN(CC)C(=O)CN(c1cc(C)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H27ClN2O5S/c1-6-23(7-2)21(25)14-24(18-12-15(3)8-10-17(18)22)30(26,27)16-9-11-19(28-4)20(13-16)29-5/h8-13H,6-7,14H2,1-5H3
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n/an/a 8n/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 1


(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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n/an/a 8n/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 1


(Homo sapiens (Human))
BDBM50293236
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)c1cccc(C)n1
Show InChI InChI=1S/C26H27ClN4O5S2/c1-6-30(25-9-7-8-16(2)28-25)26(32)15-31(21-13-19-17(3)29-37-24(19)14-20(21)27)38(33,34)18-10-11-22(35-4)23(12-18)36-5/h7-14H,6,15H2,1-5H3
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n/an/a 8n/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))
BDBM50293216
PNG
(2-(N-(2-cyano-5-(dimethylamino)phenyl)-3,4-dimetho...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1C#N)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-13-18(25(3)4)10-9-17(20)15-24)33(29,30)19-11-12-21(31-5)22(14-19)32-6/h9-14H,7-8,16H2,1-6H3
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n/an/a 10n/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 1


(Homo sapiens (Human))
BDBM50293233
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)c1ccn(C)n1
Show InChI InChI=1S/C24H30ClN5O5S/c1-7-29(23-12-13-28(4)26-23)24(31)16-30(20-14-17(27(2)3)8-10-19(20)25)36(32,33)18-9-11-21(34-5)22(15-18)35-6/h8-15H,7,16H2,1-6H3
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n/an/a 12n/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 1


(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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n/an/a 17n/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))
BDBM50292977
PNG
(2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-d...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
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n/an/a 19n/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 1


(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 29n/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))
BDBM50293218
PNG
(2-(N-(2-chloro-5-(trifluoromethyl)phenyl)-3,4-dime...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)C(F)(F)F)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H24ClF3N2O5S/c1-5-26(6-2)20(28)13-27(17-11-14(21(23,24)25)7-9-16(17)22)33(29,30)15-8-10-18(31-3)19(12-15)32-4/h7-12H,5-6,13H2,1-4H3
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n/an/a 48n/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))
BDBM50293210
PNG
(CHEMBL467577 | N,N-diethyl-2-(2-methyl-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-13-11-16(3)12-14-18)26(24,25)19-10-8-7-9-17(19)4/h7-14H,5-6,15H2,1-4H3
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n/an/a 58n/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))
BDBM50293223
PNG
(2-(N-(5-chloro-2-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(CC)C(=O)CN(c1cc(Cl)ccc1N(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(23)9-11-18(19)24(3)4)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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n/an/a 60n/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))
BDBM50293213
PNG
(CHEMBL513527 | N,N-diethyl-2-(3-methyl-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-12-10-16(3)11-13-18)26(24,25)19-9-7-8-17(4)14-19/h7-14H,5-6,15H2,1-4H3
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n/an/a 60n/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))
BDBM50293203
PNG
(CHEMBL496993 | N,N-diethyl-2-(4-ethyl-N-p-tolylphe...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(CC)cc1
Show InChI InChI=1S/C21H28N2O3S/c1-5-18-10-14-20(15-11-18)27(25,26)23(16-21(24)22(6-2)7-3)19-12-8-17(4)9-13-19/h8-15H,5-7,16H2,1-4H3
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n/an/a 89n/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))
BDBM50293225
PNG
(2-(N-(2-chloro-5-isopropylphenyl)-3,4-dimethoxyphe...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)C(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H31ClN2O5S/c1-7-25(8-2)23(27)15-26(20-13-17(16(3)4)9-11-19(20)24)32(28,29)18-10-12-21(30-5)22(14-18)31-6/h9-14,16H,7-8,15H2,1-6H3
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n/an/a 90n/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))
BDBM50293220
PNG
(2-(N-(2-cyano-3-(dimethylamino)phenyl)-3,4-dimetho...)
Show SMILES CCN(CC)C(=O)CN(c1cccc(N(C)C)c1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-11-9-10-19(25(3)4)18(20)15-24)33(29,30)17-12-13-21(31-5)22(14-17)32-6/h9-14H,7-8,16H2,1-6H3
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n/an/a 110n/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 1


(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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n/an/a 119n/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))
BDBM50293214
PNG
(2-(3-chloro-N-p-tolylphenylsulfonamido)-N,N-diethy...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3
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n/an/a 139n/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))
BDBM50293206
PNG
(2-(4-bromo-N-p-tolylphenylsulfonamido)-N,N-diethyl...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C19H23BrN2O3S/c1-4-21(5-2)19(23)14-22(17-10-6-15(3)7-11-17)26(24,25)18-12-8-16(20)9-13-18/h6-13H,4-5,14H2,1-3H3
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n/an/a 142n/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 1


(Homo sapiens (Human))
BDBM50293216
PNG
(2-(N-(2-cyano-5-(dimethylamino)phenyl)-3,4-dimetho...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1C#N)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-13-18(25(3)4)10-9-17(20)15-24)33(29,30)19-11-12-21(31-5)22(14-19)32-6/h9-14H,7-8,16H2,1-6H3
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n/an/a 166n/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))
BDBM50293204
PNG
(CHEMBL524267 | N,N-diethyl-2-(4-methyl-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-11-7-16(3)8-12-18)26(24,25)19-13-9-17(4)10-14-19/h7-14H,5-6,15H2,1-4H3
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n/an/a 232n/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))
BDBM50293219
PNG
(2-(N-(5-(dimethylamino)-2-methoxyphenyl)-3,4-dimet...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1OC)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H33N3O6S/c1-8-25(9-2)23(27)16-26(19-14-17(24(3)4)10-12-20(19)30-5)33(28,29)18-11-13-21(31-6)22(15-18)32-7/h10-15H,8-9,16H2,1-7H3
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n/an/a 239n/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))
BDBM50293207
PNG
(CHEMBL497403 | N,N-diethyl-2-(4-fluoro-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(17-10-6-15(3)7-11-17)26(24,25)18-12-8-16(20)9-13-18/h6-13H,4-5,14H2,1-3H3
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n/an/a 346n/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))
BDBM50293227
PNG
(2-(N-(2-chloro-5-(ethyl(methyl)amino)phenyl)-3,4-d...)
Show SMILES CCN(C)c1ccc(Cl)c(c1)N(CC(=O)N(CC)CC)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H32ClN3O5S/c1-7-25(4)17-10-12-19(24)20(14-17)27(16-23(28)26(8-2)9-3)33(29,30)18-11-13-21(31-5)22(15-18)32-6/h10-15H,7-9,16H2,1-6H3
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n/an/a 433n/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))
BDBM50293217
PNG
(2-(N-(2-chloro-5-cyanophenyl)-3,4-dimethoxyphenyls...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)C#N)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H24ClN3O5S/c1-5-24(6-2)21(26)14-25(18-11-15(13-23)7-9-17(18)22)31(27,28)16-8-10-19(29-3)20(12-16)30-4/h7-12H,5-6,14H2,1-4H3
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n/an/a 463n/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))
BDBM50293205
PNG
(CHEMBL524440 | N,N-diethyl-2-(4-methoxy-N-p-tolylp...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H26N2O4S/c1-5-21(6-2)20(23)15-22(17-9-7-16(3)8-10-17)27(24,25)19-13-11-18(26-4)12-14-19/h7-14H,5-6,15H2,1-4H3
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n/an/a 661n/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))
BDBM50293221
PNG
(2-(N-(4-chloro-3-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(Cl)c(c1)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(16-9-11-18(23)19(13-16)24(3)4)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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n/an/a 789n/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))
BDBM50293211
PNG
(2-(2-chloro-N-p-tolylphenylsulfonamido)-N,N-diethy...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN2O3S/c1-4-21(5-2)19(23)14-22(16-12-10-15(3)11-13-16)26(24,25)18-9-7-6-8-17(18)20/h6-13H,4-5,14H2,1-3H3
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n/an/a 800n/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))
BDBM50293215
PNG
(CHEMBL524806 | N,N-diethyl-2-(3-fluoro-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3
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n/an/a 839n/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 1


(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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n/an/a 886n/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 1


(Homo sapiens (Human))
BDBM50293225
PNG
(2-(N-(2-chloro-5-isopropylphenyl)-3,4-dimethoxyphe...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)C(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H31ClN2O5S/c1-7-25(8-2)23(27)15-26(20-13-17(16(3)4)9-11-19(20)24)32(28,29)18-10-12-21(30-5)22(14-18)31-6/h9-14,16H,7-8,15H2,1-6H3
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n/an/a 888n/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 1


(Homo sapiens (Human))
BDBM50293224
PNG
(2-(N-(2-chloro-5-methylphenyl)-3,4-dimethoxyphenyl...)
Show SMILES CCN(CC)C(=O)CN(c1cc(C)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H27ClN2O5S/c1-6-23(7-2)21(25)14-24(18-12-15(3)8-10-17(18)22)30(26,27)16-9-11-19(28-4)20(13-16)29-5/h8-13H,6-7,14H2,1-5H3
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n/an/a 1.11E+3n/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))
BDBM50293229
PNG
(2-(N-(2-chloro-5-(1H-pyrrol-1-yl)phenyl)-3,4-dimet...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)-n1cccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H28ClN3O5S/c1-5-26(6-2)24(29)17-28(21-15-18(9-11-20(21)25)27-13-7-8-14-27)34(30,31)19-10-12-22(32-3)23(16-19)33-4/h7-16H,5-6,17H2,1-4H3
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n/an/a 1.16E+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))
BDBM50293208
PNG
(2-(4-cyano-N-p-tolylphenylsulfonamido)-N,N-diethyl...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H23N3O3S/c1-4-22(5-2)20(24)15-23(18-10-6-16(3)7-11-18)27(25,26)19-12-8-17(14-21)9-13-19/h6-13H,4-5,15H2,1-3H3
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n/an/a 1.19E+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 1


(Homo sapiens (Human))
BDBM50293227
PNG
(2-(N-(2-chloro-5-(ethyl(methyl)amino)phenyl)-3,4-d...)
Show SMILES CCN(C)c1ccc(Cl)c(c1)N(CC(=O)N(CC)CC)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H32ClN3O5S/c1-7-25(4)17-10-12-19(24)20(14-17)27(16-23(28)26(8-2)9-3)33(29,30)18-11-13-21(31-5)22(15-18)32-6/h10-15H,7-9,16H2,1-6H3
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n/an/a 1.37E+3n/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))
BDBM50293228
PNG
(2-(N-(2-chloro-5-(pyrrolidin-1-yl)phenyl)-3,4-dime...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)N1CCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H32ClN3O5S/c1-5-26(6-2)24(29)17-28(21-15-18(9-11-20(21)25)27-13-7-8-14-27)34(30,31)19-10-12-22(32-3)23(16-19)33-4/h9-12,15-16H,5-8,13-14,17H2,1-4H3
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n/an/a 1.61E+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 1


(Homo sapiens (Human))
BDBM50293229
PNG
(2-(N-(2-chloro-5-(1H-pyrrol-1-yl)phenyl)-3,4-dimet...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)-n1cccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H28ClN3O5S/c1-5-26(6-2)24(29)17-28(21-15-18(9-11-20(21)25)27-13-7-8-14-27)34(30,31)19-10-12-22(32-3)23(16-19)33-4/h7-16H,5-6,17H2,1-4H3
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n/an/a 1.71E+3n/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))
BDBM50293209
PNG
(CHEMBL468964 | N,N-diethyl-2-(N-p-tolyl-4-(trifluo...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H23F3N2O4S/c1-4-24(5-2)19(26)14-25(16-8-6-15(3)7-9-16)30(27,28)18-12-10-17(11-13-18)29-20(21,22)23/h6-13H,4-5,14H2,1-3H3
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n/an/a 1.82E+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))
BDBM50293226
PNG
(2-(N-(2-chloro-5-(diethylamino)phenyl)-3,4-dimetho...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)N(CC)CC)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H34ClN3O5S/c1-7-26(8-2)18-11-13-20(25)21(15-18)28(17-24(29)27(9-3)10-4)34(30,31)19-12-14-22(32-5)23(16-19)33-6/h11-16H,7-10,17H2,1-6H3
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n/an/a 2.41E+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 1


(Homo sapiens (Human))
BDBM50293218
PNG
(2-(N-(2-chloro-5-(trifluoromethyl)phenyl)-3,4-dime...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)C(F)(F)F)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H24ClF3N2O5S/c1-5-26(6-2)20(28)13-27(17-11-14(21(23,24)25)7-9-16(17)22)33(29,30)15-8-10-18(31-3)19(12-15)32-4/h7-12H,5-6,13H2,1-4H3
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n/an/a 2.49E+3n/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 1


(Homo sapiens (Human))
BDBM50293228
PNG
(2-(N-(2-chloro-5-(pyrrolidin-1-yl)phenyl)-3,4-dime...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)N1CCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H32ClN3O5S/c1-5-26(6-2)24(29)17-28(21-15-18(9-11-20(21)25)27-13-7-8-14-27)34(30,31)19-10-12-22(32-3)23(16-19)33-4/h9-12,15-16H,5-8,13-14,17H2,1-4H3
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n/an/a 2.53E+3n/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))
BDBM50293212
PNG
(CHEMBL468969 | N,N-diethyl-2-(2-fluoro-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(16-12-10-15(3)11-13-16)26(24,25)18-9-7-6-8-17(18)20/h6-13H,4-5,14H2,1-3H3
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n/an/a 3.37E+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 1


(Homo sapiens (Human))
BDBM50293223
PNG
(2-(N-(5-chloro-2-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(CC)C(=O)CN(c1cc(Cl)ccc1N(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(23)9-11-18(19)24(3)4)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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n/an/a 4.88E+3n/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 1


(Homo sapiens (Human))
BDBM50293211
PNG
(2-(2-chloro-N-p-tolylphenylsulfonamido)-N,N-diethy...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN2O3S/c1-4-21(5-2)19(23)14-22(16-12-10-15(3)11-13-16)26(24,25)18-9-7-6-8-17(18)20/h6-13H,4-5,14H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
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 1


(Homo sapiens (Human))
BDBM50293215
PNG
(CHEMBL524806 | N,N-diethyl-2-(3-fluoro-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3
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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 1


(Homo sapiens (Human))
BDBM50293217
PNG
(2-(N-(2-chloro-5-cyanophenyl)-3,4-dimethoxyphenyls...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)C#N)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H24ClN3O5S/c1-5-24(6-2)21(26)14-25(18-11-15(13-23)7-9-17(18)22)31(27,28)16-8-10-19(29-3)20(12-16)30-4/h7-12H,5-6,14H2,1-4H3
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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 1


(Homo sapiens (Human))
BDBM50293214
PNG
(2-(3-chloro-N-p-tolylphenylsulfonamido)-N,N-diethy...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3S/c1-4-21(5-2)19(23)14-22(17-11-9-15(3)10-12-17)26(24,25)18-8-6-7-16(20)13-18/h6-13H,4-5,14H2,1-3H3
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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 1


(Homo sapiens (Human))
BDBM50293204
PNG
(CHEMBL524267 | N,N-diethyl-2-(4-methyl-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-11-7-16(3)8-12-18)26(24,25)19-13-9-17(4)10-14-19/h7-14H,5-6,15H2,1-4H3
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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 1


(Homo sapiens (Human))
BDBM50293205
PNG
(CHEMBL524440 | N,N-diethyl-2-(4-methoxy-N-p-tolylp...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H26N2O4S/c1-5-21(6-2)20(23)15-22(17-9-7-16(3)8-10-17)27(24,25)19-13-11-18(26-4)12-14-19/h7-14H,5-6,15H2,1-4H3
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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 1


(Homo sapiens (Human))
BDBM50293207
PNG
(CHEMBL497403 | N,N-diethyl-2-(4-fluoro-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(17-10-6-15(3)7-11-17)26(24,25)18-12-8-16(20)9-13-18/h6-13H,4-5,14H2,1-3H3
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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 1


(Homo sapiens (Human))
BDBM50293213
PNG
(CHEMBL513527 | N,N-diethyl-2-(3-methyl-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-12-10-16(3)11-13-18)26(24,25)19-9-7-8-17(4)14-19/h7-14H,5-6,15H2,1-4H3
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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 1


(Homo sapiens (Human))
BDBM50293226
PNG
(2-(N-(2-chloro-5-(diethylamino)phenyl)-3,4-dimetho...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1Cl)N(CC)CC)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H34ClN3O5S/c1-7-26(8-2)18-11-13-20(25)21(15-18)28(17-24(29)27(9-3)10-4)34(30,31)19-12-14-22(32-5)23(16-19)33-6/h11-16H,7-10,17H2,1-6H3
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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 1


(Homo sapiens (Human))
BDBM50292977
PNG
(2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-d...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H28N2O5S/c1-6-22(7-2)21(24)15-23(17-10-8-16(3)9-11-17)29(25,26)18-12-13-19(27-4)20(14-18)28-5/h8-14H,6-7,15H2,1-5H3
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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 1


(Homo sapiens (Human))
BDBM50293209
PNG
(CHEMBL468964 | N,N-diethyl-2-(N-p-tolyl-4-(trifluo...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H23F3N2O4S/c1-4-24(5-2)19(26)14-25(16-8-6-15(3)7-9-16)30(27,28)18-12-10-17(11-13-18)29-20(21,22)23/h6-13H,4-5,14H2,1-3H3
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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 1


(Homo sapiens (Human))
BDBM50293220
PNG
(2-(N-(2-cyano-3-(dimethylamino)phenyl)-3,4-dimetho...)
Show SMILES CCN(CC)C(=O)CN(c1cccc(N(C)C)c1C#N)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H30N4O5S/c1-7-26(8-2)23(28)16-27(20-11-9-10-19(25(3)4)18(20)15-24)33(29,30)17-12-13-21(31-5)22(14-17)32-6/h9-14H,7-8,16H2,1-6H3
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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 1


(Homo sapiens (Human))
BDBM50293212
PNG
(CHEMBL468969 | N,N-diethyl-2-(2-fluoro-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H23FN2O3S/c1-4-21(5-2)19(23)14-22(16-12-10-15(3)11-13-16)26(24,25)18-9-7-6-8-17(18)20/h6-13H,4-5,14H2,1-3H3
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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 1


(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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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 1


(Homo sapiens (Human))
BDBM50293203
PNG
(CHEMBL496993 | N,N-diethyl-2-(4-ethyl-N-p-tolylphe...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(CC)cc1
Show InChI InChI=1S/C21H28N2O3S/c1-5-18-10-14-20(15-11-18)27(25,26)23(16-21(24)22(6-2)7-3)19-12-8-17(4)9-13-19/h8-15H,5-7,16H2,1-4H3
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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 1


(Homo sapiens (Human))
BDBM50293206
PNG
(2-(4-bromo-N-p-tolylphenylsulfonamido)-N,N-diethyl...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C19H23BrN2O3S/c1-4-21(5-2)19(23)14-22(17-10-6-15(3)7-11-17)26(24,25)18-12-8-16(20)9-13-18/h6-13H,4-5,14H2,1-3H3
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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 1


(Homo sapiens (Human))
BDBM50293208
PNG
(2-(4-cyano-N-p-tolylphenylsulfonamido)-N,N-diethyl...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H23N3O3S/c1-4-22(5-2)20(24)15-23(18-10-6-16(3)7-11-18)27(25,26)19-12-8-17(14-21)9-13-19/h6-13H,4-5,15H2,1-3H3
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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 1


(Homo sapiens (Human))
BDBM50293221
PNG
(2-(N-(4-chloro-3-(dimethylamino)phenyl)-3,4-dimeth...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(Cl)c(c1)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(16-9-11-18(23)19(13-16)24(3)4)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 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 1


(Homo sapiens (Human))
BDBM50293210
PNG
(CHEMBL467577 | N,N-diethyl-2-(2-methyl-N-p-tolylph...)
Show SMILES CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-13-11-16(3)12-14-18)26(24,25)19-10-8-7-9-17(19)4/h7-14H,5-6,15H2,1-4H3
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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 1


(Homo sapiens (Human))
BDBM50293219
PNG
(2-(N-(5-(dimethylamino)-2-methoxyphenyl)-3,4-dimet...)
Show SMILES CCN(CC)C(=O)CN(c1cc(ccc1OC)N(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H33N3O6S/c1-8-25(9-2)23(27)16-26(19-14-17(24(3)4)10-12-20(19)30-5)33(28,29)18-11-13-21(31-6)22(15-18)32-7/h10-15H,8-9,16H2,1-7H3
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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
* indicates data uncertainty>20%