BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'koberstein' and Initial = 'r'   
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3n/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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3n/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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5n/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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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/Hypocretin 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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/Hypocretin 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50313178
PNG
(2-(1-ethyl-3-methyl-4-(3-(trifluoromethyl)phenethy...)
Show SMILES CCn1nc(C)c2C(CCc3cccc(c3)C(F)(F)F)N(CCc12)C(C(=O)NC)c1ccccc1
Show InChI InChI=1S/C27H31F3N4O/c1-4-34-23-15-16-33(25(26(35)31-3)20-10-6-5-7-11-20)22(24(23)18(2)32-34)14-13-19-9-8-12-21(17-19)27(28,29)30/h5-12,17,22,25H,4,13-16H2,1-3H3,(H,31,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50436389
PNG
(CHEMBL2396867)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(19(28)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		BDBM50436379
PNG
(CHEMBL2396839)
Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1cccc(c1)C(F)(F)F)C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-7-3-2-4-8-18)34-14-15-35-23(24(28)33-25(35)19-11-12-19)21(34)13-10-17-6-5-9-20(16-17)27(29,30)31/h2-9,16,19,21-22H,10-15H2,1H3,(H,32,36)/t21-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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/Hypocretin 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		BDBM50292929
PNG
(CHEMBL455136 | almorexant)
Show SMILES CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50436383
PNG
(CHEMBL2396835)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3cc(F)c(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H26ClF5N4O/c1-3-20-34-24(27)23-19(10-9-15-13-17(28)21(18(29)14-15)26(30,31)32)35(11-12-36(20)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-8,13-14,19,22H,3,9-12H2,1-2H3,(H,33,37)/t19-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/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
Orexin/Hypocretin 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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))		BDBM50431845
PNG
(CHEMBL2347607)
Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-5-3-2-4-6-18)34-15-16-35-23(24(28)33-25(35)19-10-11-19)21(34)14-9-17-7-12-20(13-8-17)27(29,30)31/h2-8,12-13,19,21-22H,9-11,14-16H2,1H3,(H,32,36)/t21-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/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 orexin A-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 23: 2212-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.088
BindingDB Entry DOI: 10.7270/Q2ZS2XWT
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50431860
PNG
(CHEMBL2347482)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)33(15-16-34(21)23)22(25(35)31-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,31,35)/t20-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50436394
PNG
(CHEMBL2396862)
Show SMILES CCc1nc(Cl)c2[C@H](COc3ccc(cc3)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(15-35-18-11-9-17(10-12-18)25(27,28)29)32(13-14-33(20)22)21(24(34)30-2)16-7-5-4-6-8-16/h4-12,19,21H,3,13-15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50313174
PNG
((R)-2-((S)-1-ethyl-4-(4-isopropylphenethyl)-3-meth...)
Show SMILES CCn1nc(C)c2[C@H](CCc3ccc(cc3)C(C)C)N(CCc12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C29H38N4O/c1-6-33-26-18-19-32(28(29(34)30-5)24-10-8-7-9-11-24)25(27(26)21(4)31-33)17-14-22-12-15-23(16-13-22)20(2)3/h7-13,15-16,20,25,28H,6,14,17-19H2,1-5H3,(H,30,34)/t25-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 9n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50436380
PNG
(CHEMBL2396838)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClF4N4O/c1-3-20-33-24(27)23-19(13-12-16-10-7-11-18(21(16)28)26(29,30)31)34(14-15-35(20)23)22(25(36)32-2)17-8-5-4-6-9-17/h4-11,19,22H,3,12-15H2,1-2H3,(H,32,36)/t19-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50431845
PNG
(CHEMBL2347607)
Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-5-3-2-4-6-18)34-15-16-35-23(24(28)33-25(35)19-10-11-19)21(34)14-9-17-7-12-20(13-8-17)27(29,30)31/h2-8,12-13,19,21-22H,9-11,14-16H2,1H3,(H,32,36)/t21-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50431860
PNG
(CHEMBL2347482)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)33(15-16-34(21)23)22(25(35)31-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,31,35)/t20-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/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 orexin A-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 23: 2212-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.088
BindingDB Entry DOI: 10.7270/Q2ZS2XWT
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50436395
PNG
(CHEMBL2396861)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(13-12-17-8-7-11-19(16-17)26(28,29)30)33(14-15-34(21)23)22(25(35)31-2)18-9-5-4-6-10-18/h4-11,16,20,22H,3,12-15H2,1-2H3,(H,31,35)/t20-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50431853
PNG
(CHEMBL2347599)
Show SMILES CCc1nc(C#N)c2C(CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C27H28F3N5O/c1-3-23-33-21(17-31)25-22(14-11-18-9-12-20(13-10-18)27(28,29)30)34(15-16-35(23)25)24(26(36)32-2)19-7-5-4-6-8-19/h4-10,12-13,22,24H,3,11,14-16H2,1-2H3,(H,32,36)/t22?,24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/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 orexin A-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 23: 2212-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.088
BindingDB Entry DOI: 10.7270/Q2ZS2XWT
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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 2


(Homo sapiens (Human))		BDBM50313177
PNG
(2-(1-ethyl-4-(3-fluorophenethyl)-3-methyl-6,7-dihy...)
Show SMILES CCn1nc(C)c2C(CCc3cccc(F)c3)N(CCc12)C(C(=O)NC)c1ccccc1
Show InChI InChI=1S/C26H31FN4O/c1-4-31-23-15-16-30(25(26(32)28-3)20-10-6-5-7-11-20)22(24(23)18(2)29-31)14-13-19-9-8-12-21(27)17-19/h5-12,17,22,25H,4,13-16H2,1-3H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50436378
PNG
(CHEMBL2396840)
Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(c(F)c1)C(F)(F)F)C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H27ClF4N4O/c1-33-26(37)22(17-5-3-2-4-6-17)35-13-14-36-23(24(28)34-25(36)18-9-10-18)21(35)12-8-16-7-11-19(20(29)15-16)27(30,31)32/h2-7,11,15,18,21-22H,8-10,12-14H2,1H3,(H,33,37)/t21-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50431858
PNG
(CHEMBL2347484)
Show SMILES CCc1nc(c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F6N4O/c1-3-21-35-24(27(31,32)33)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)36(15-16-37(21)23)22(25(38)34-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,34,38)/t20-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/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 orexin A-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 23: 2212-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.088
BindingDB Entry DOI: 10.7270/Q2ZS2XWT
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50431846
PNG
(CHEMBL2347606)
Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C27H30ClF3N4O/c1-17(2)25-33-24(28)23-21(14-11-18-9-12-20(13-10-18)27(29,30)31)34(15-16-35(23)25)22(26(36)32-3)19-7-5-4-6-8-19/h4-10,12-13,17,21-22H,11,14-16H2,1-3H3,(H,32,36)/t21-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/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 orexin A-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 23: 2212-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.088
BindingDB Entry DOI: 10.7270/Q2ZS2XWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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 2


(Homo sapiens (Human))		BDBM50436386
PNG
(CHEMBL2396870)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(15-19(16)28)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50313180
PNG
(2-(4-(4-chlorophenethyl)-1-ethyl-3-methyl-6,7-dihy...)
Show SMILES CCn1nc(C)c2C(CCc3ccc(Cl)cc3)N(CCc12)C(C(=O)NC)c1ccccc1
Show InChI InChI=1S/C26H31ClN4O/c1-4-31-23-16-17-30(25(26(32)28-3)20-8-6-5-7-9-20)22(24(23)18(2)29-31)15-12-19-10-13-21(27)14-11-19/h5-11,13-14,22,25H,4,12,15-17H2,1-3H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/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
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50292929
PNG
(CHEMBL455136 | almorexant)
Show SMILES CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R 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))		BDBM50431849
PNG
(CHEMBL2347603)
Show SMILES CNC(=O)[C@H](N1CCn2c(C)nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C25H26ClF3N4O/c1-16-31-23(26)22-20(13-10-17-8-11-19(12-9-17)25(27,28)29)33(15-14-32(16)22)21(24(34)30-2)18-6-4-3-5-7-18/h3-9,11-12,20-21H,10,13-15H2,1-2H3,(H,30,34)/t20-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 13n/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 orexin A-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 23: 2212-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.088
BindingDB Entry DOI: 10.7270/Q2ZS2XWT
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50436385
PNG
(CHEMBL2396833)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(F)c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H26ClF5N4O/c1-3-19-34-24(27)23-18(12-10-15-9-11-17(26(30,31)32)21(29)20(15)28)35(13-14-36(19)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,33,37)/t18-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50431855
PNG
(CHEMBL2347487)
Show SMILES CCc1nc(SC)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C27H31F3N4OS/c1-4-22-32-26(36-3)24-21(15-12-18-10-13-20(14-11-18)27(28,29)30)33(16-17-34(22)24)23(25(35)31-2)19-8-6-5-7-9-19/h5-11,13-14,21,23H,4,12,15-17H2,1-3H3,(H,31,35)/t21-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/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 orexin A-induced calcium influx by FLIPR assay

Bioorg Med Chem Lett 23: 2212-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.088
BindingDB Entry DOI: 10.7270/Q2ZS2XWT
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50436380
PNG
(CHEMBL2396838)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClF4N4O/c1-3-20-33-24(27)23-19(13-12-16-10-7-11-18(21(16)28)26(29,30)31)34(14-15-35(20)23)22(25(36)32-2)17-8-5-4-6-9-17/h4-11,19,22H,3,12-15H2,1-2H3,(H,32,36)/t19-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50436383
PNG
(CHEMBL2396835)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3cc(F)c(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C26H26ClF5N4O/c1-3-20-34-24(27)23-19(10-9-15-13-17(28)21(18(29)14-15)26(30,31)32)35(11-12-36(20)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-8,13-14,19,22H,3,9-12H2,1-2H3,(H,33,37)/t19-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R 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
Displayed 1 to 50 (of 200 total )  |  Next  |  Last  >>
Jump to: