BindingDB logo
myBDB logout

PubMed code 24704030

Compile data set for download or QSAR
Found 64 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))		BDBM50318697
PNG
(6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1 |r|
Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012608
PNG
(CHEMBL3260828)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H25N7OS/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012606
PNG
(CHEMBL3260826)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)coc2n1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012608
PNG
(CHEMBL3260828)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H25N7OS/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012602
PNG
(CHEMBL3260836)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-13-32-20-18(14)19(23)26-22(27-20)28-10-7-15(2)29(12-11-28)21(31)16-5-3-4-6-17(16)30-24-8-9-25-30/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012601
PNG
(CHEMBL3260835)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012601
PNG
(CHEMBL3260835)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012613
PNG
(CHEMBL3260833)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-19(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-15(30)2)23-27-20(24)18-13-16(3)33-21(18)28-23/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3,(H2,24,27,28)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012613
PNG
(CHEMBL3260833)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-19(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-15(30)2)23-27-20(24)18-13-16(3)33-21(18)28-23/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3,(H2,24,27,28)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50318701
PNG
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
 0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012607
PNG
(CHEMBL3260827)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)c(C)oc2n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-15-5-6-21(31-26-8-9-27-31)19(13-15)23(32)30-12-11-29(10-7-16(30)2)24-25-14-20-17(3)18(4)33-22(20)28-24/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012611
PNG
(CHEMBL3260831)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2ccsc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-3-4-18(30-24-7-8-25-30)17(13-14)21(31)29-11-10-28(9-5-15(29)2)22-26-19(23)16-6-12-32-20(16)27-22/h3-4,6-8,12-13,15H,5,9-11H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012607
PNG
(CHEMBL3260827)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)c(C)oc2n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-15-5-6-21(31-26-8-9-27-31)19(13-15)23(32)30-12-11-29(10-7-16(30)2)24-25-14-20-17(3)18(4)33-22(20)28-24/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50318701
PNG
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
 0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012606
PNG
(CHEMBL3260826)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)coc2n1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012600
PNG
(CHEMBL3260834)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-7-10-28(22-26-19(23)17-13-15(2)32-20(17)27-22)11-12-29(14)21(31)16-5-3-4-6-18(16)30-24-8-9-25-30/h3-6,8-9,13-14H,7,10-12H2,1-2H3,(H2,23,26,27)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012611
PNG
(CHEMBL3260831)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2ccsc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-3-4-18(30-24-7-8-25-30)17(13-14)21(31)29-11-10-28(9-5-15(29)2)22-26-19(23)16-6-12-32-20(16)27-22/h3-4,6-8,12-13,15H,5,9-11H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012604
PNG
(CHEMBL3260824)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1 |r|
Show InChI InChI=1S/C23H27N9O/c1-15-5-6-20(32-25-8-9-26-32)18(13-15)22(33)31-12-11-30(10-7-16(31)2)23-24-14-19-17(3)28-29(4)21(19)27-23/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012612
PNG
(CHEMBL3260832)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2ccsc2n1 |r|
Show InChI InChI=1S/C21H22N8OS/c1-14-6-10-27(21-25-18(22)16-7-13-31-19(16)26-21)11-12-28(14)20(30)15-4-2-3-5-17(15)29-23-8-9-24-29/h2-5,7-9,13-14H,6,10-12H2,1H3,(H2,22,25,26)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012602
PNG
(CHEMBL3260836)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-13-32-20-18(14)19(23)26-22(27-20)28-10-7-15(2)29(12-11-28)21(31)16-5-3-4-6-17(16)30-24-8-9-25-30/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012600
PNG
(CHEMBL3260834)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-7-10-28(22-26-19(23)17-13-15(2)32-20(17)27-22)11-12-29(14)21(31)16-5-3-4-6-18(16)30-24-8-9-25-30/h3-6,8-9,13-14H,7,10-12H2,1-2H3,(H2,23,26,27)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012609
PNG
(CHEMBL3260829)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)coc2n1 |r|
Show InChI InChI=1S/C23H26N8O2/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50318697
PNG
(6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1 |r|
Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012610
PNG
(CHEMBL3260830)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)coc2n1 |r|
Show InChI InChI=1S/C22H24N8O2/c1-14-13-32-20-18(14)19(23)26-22(27-20)28-10-7-15(2)29(12-11-28)21(31)16-5-3-4-6-17(16)30-24-8-9-25-30/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012603
PNG
(CHEMBL3260823)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2cnn(C)c2n1 |r|
Show InChI InChI=1S/C22H25N9O/c1-15-4-5-19(31-24-7-8-25-31)18(12-15)21(32)30-11-10-29(9-6-16(30)2)22-23-13-17-14-26-28(3)20(17)27-22/h4-5,7-8,12-14,16H,6,9-11H2,1-3H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012604
PNG
(CHEMBL3260824)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1 |r|
Show InChI InChI=1S/C23H27N9O/c1-15-5-6-20(32-25-8-9-26-32)18(13-15)22(33)31-12-11-30(10-7-16(31)2)23-24-14-19-17(3)28-29(4)21(19)27-23/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012605
PNG
(CHEMBL3260825)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1 |r|
Show InChI InChI=1S/C22H25N9O/c1-15-8-11-29(22-23-14-18-16(2)27-28(3)20(18)26-22)12-13-30(15)21(32)17-6-4-5-7-19(17)31-24-9-10-25-31/h4-7,9-10,14-15H,8,11-13H2,1-3H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012609
PNG
(CHEMBL3260829)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)coc2n1 |r|
Show InChI InChI=1S/C23H26N8O2/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012612
PNG
(CHEMBL3260832)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2ccsc2n1 |r|
Show InChI InChI=1S/C21H22N8OS/c1-14-6-10-27(21-25-18(22)16-7-13-31-19(16)26-21)11-12-28(14)20(30)15-4-2-3-5-17(15)29-23-8-9-24-29/h2-5,7-9,13-14H,6,10-12H2,1H3,(H2,22,25,26)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012610
PNG
(CHEMBL3260830)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)coc2n1 |r|
Show InChI InChI=1S/C22H24N8O2/c1-14-13-32-20-18(14)19(23)26-22(27-20)28-10-7-15(2)29(12-11-28)21(31)16-5-3-4-6-17(16)30-24-8-9-25-30/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012603
PNG
(CHEMBL3260823)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2cnn(C)c2n1 |r|
Show InChI InChI=1S/C22H25N9O/c1-15-4-5-19(31-24-7-8-25-31)18(12-15)21(32)30-11-10-29(9-6-16(30)2)22-23-13-17-14-26-28(3)20(17)27-22/h4-5,7-8,12-14,16H,6,9-11H2,1-3H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 49n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012605
PNG
(CHEMBL3260825)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1 |r|
Show InChI InChI=1S/C22H25N9O/c1-15-8-11-29(22-23-14-18-16(2)27-28(3)20(18)26-22)12-13-30(15)21(32)17-6-4-5-7-19(17)31-24-9-10-25-31/h4-7,9-10,14-15H,8,11-13H2,1-3H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 92n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012612
PNG
(CHEMBL3260832)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2ccsc2n1 |r|
Show InChI InChI=1S/C21H22N8OS/c1-14-6-10-27(21-25-18(22)16-7-13-31-19(16)26-21)11-12-28(14)20(30)15-4-2-3-5-17(15)29-23-8-9-24-29/h2-5,7-9,13-14H,6,10-12H2,1H3,(H2,22,25,26)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012611
PNG
(CHEMBL3260831)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2ccsc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-3-4-18(30-24-7-8-25-30)17(13-14)21(31)29-11-10-28(9-5-15(29)2)22-26-19(23)16-6-12-32-20(16)27-22/h3-4,6-8,12-13,15H,5,9-11H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50318697
PNG
(6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1 |r|
Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50318697
PNG
(6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1 |r|
Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012602
PNG
(CHEMBL3260836)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-13-32-20-18(14)19(23)26-22(27-20)28-10-7-15(2)29(12-11-28)21(31)16-5-3-4-6-17(16)30-24-8-9-25-30/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012602
PNG
(CHEMBL3260836)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-13-32-20-18(14)19(23)26-22(27-20)28-10-7-15(2)29(12-11-28)21(31)16-5-3-4-6-17(16)30-24-8-9-25-30/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012600
PNG
(CHEMBL3260834)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-7-10-28(22-26-19(23)17-13-15(2)32-20(17)27-22)11-12-29(14)21(31)16-5-3-4-6-18(16)30-24-8-9-25-30/h3-6,8-9,13-14H,7,10-12H2,1-2H3,(H2,23,26,27)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012600
PNG
(CHEMBL3260834)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-7-10-28(22-26-19(23)17-13-15(2)32-20(17)27-22)11-12-29(14)21(31)16-5-3-4-6-18(16)30-24-8-9-25-30/h3-6,8-9,13-14H,7,10-12H2,1-2H3,(H2,23,26,27)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012606
PNG
(CHEMBL3260826)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)coc2n1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012611
PNG
(CHEMBL3260831)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2ccsc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-3-4-18(30-24-7-8-25-30)17(13-14)21(31)29-11-10-28(9-5-15(29)2)22-26-19(23)16-6-12-32-20(16)27-22/h3-4,6-8,12-13,15H,5,9-11H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012613
PNG
(CHEMBL3260833)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-19(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-15(30)2)23-27-20(24)18-13-16(3)33-21(18)28-23/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3,(H2,24,27,28)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012608
PNG
(CHEMBL3260828)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H25N7OS/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012612
PNG
(CHEMBL3260832)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2ccsc2n1 |r|
Show InChI InChI=1S/C21H22N8OS/c1-14-6-10-27(21-25-18(22)16-7-13-31-19(16)26-21)11-12-28(14)20(30)15-4-2-3-5-17(15)29-23-8-9-24-29/h2-5,7-9,13-14H,6,10-12H2,1H3,(H2,22,25,26)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012608
PNG
(CHEMBL3260828)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H25N7OS/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012607
PNG
(CHEMBL3260827)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)c(C)oc2n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-15-5-6-21(31-26-8-9-27-31)19(13-15)23(32)30-12-11-29(10-7-16(30)2)24-25-14-20-17(3)18(4)33-22(20)28-24/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012601
PNG
(CHEMBL3260835)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012606
PNG
(CHEMBL3260826)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)coc2n1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-15-4-5-20(30-25-7-8-26-30)18(12-15)22(31)29-11-10-28(9-6-17(29)3)23-24-13-19-16(2)14-32-21(19)27-23/h4-5,7-8,12-14,17H,6,9-11H2,1-3H3/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012613
PNG
(CHEMBL3260833)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-19(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-15(30)2)23-27-20(24)18-13-16(3)33-21(18)28-23/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3,(H2,24,27,28)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50318701
PNG
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012601
PNG
(CHEMBL3260835)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50318701
PNG
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012607
PNG
(CHEMBL3260827)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)c(C)oc2n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-15-5-6-21(31-26-8-9-27-31)19(13-15)23(32)30-12-11-29(10-7-16(30)2)24-25-14-20-17(3)18(4)33-22(20)28-24/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012603
PNG
(CHEMBL3260823)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2cnn(C)c2n1 |r|
Show InChI InChI=1S/C22H25N9O/c1-15-4-5-19(31-24-7-8-25-31)18(12-15)21(32)30-11-10-29(9-6-16(30)2)22-23-13-17-14-26-28(3)20(17)27-22/h4-5,7-8,12-14,16H,6,9-11H2,1-3H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012604
PNG
(CHEMBL3260824)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1 |r|
Show InChI InChI=1S/C23H27N9O/c1-15-5-6-20(32-25-8-9-26-32)18(13-15)22(33)31-12-11-30(10-7-16(31)2)23-24-14-19-17(3)28-29(4)21(19)27-23/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012603
PNG
(CHEMBL3260823)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2cnn(C)c2n1 |r|
Show InChI InChI=1S/C22H25N9O/c1-15-4-5-19(31-24-7-8-25-31)18(12-15)21(32)30-11-10-29(9-6-16(30)2)22-23-13-17-14-26-28(3)20(17)27-22/h4-5,7-8,12-14,16H,6,9-11H2,1-3H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012604
PNG
(CHEMBL3260824)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1 |r|
Show InChI InChI=1S/C23H27N9O/c1-15-5-6-20(32-25-8-9-26-32)18(13-15)22(33)31-12-11-30(10-7-16(31)2)23-24-14-19-17(3)28-29(4)21(19)27-23/h5-6,8-9,13-14,16H,7,10-12H2,1-4H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012609
PNG
(CHEMBL3260829)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)coc2n1 |r|
Show InChI InChI=1S/C23H26N8O2/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012609
PNG
(CHEMBL3260829)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)coc2n1 |r|
Show InChI InChI=1S/C23H26N8O2/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 195n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012610
PNG
(CHEMBL3260830)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)coc2n1 |r|
Show InChI InChI=1S/C22H24N8O2/c1-14-13-32-20-18(14)19(23)26-22(27-20)28-10-7-15(2)29(12-11-28)21(31)16-5-3-4-6-17(16)30-24-8-9-25-30/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 195n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50012605
PNG
(CHEMBL3260825)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1 |r|
Show InChI InChI=1S/C22H25N9O/c1-15-8-11-29(22-23-14-18-16(2)27-28(3)20(18)26-22)12-13-30(15)21(32)17-6-4-5-7-19(17)31-24-9-10-25-31/h4-7,9-10,14-15H,8,11-13H2,1-3H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012610
PNG
(CHEMBL3260830)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2c(C)coc2n1 |r|
Show InChI InChI=1S/C22H24N8O2/c1-14-13-32-20-18(14)19(23)26-22(27-20)28-10-7-15(2)29(12-11-28)21(31)16-5-3-4-6-17(16)30-24-8-9-25-30/h3-6,8-9,13,15H,7,10-12H2,1-2H3,(H2,23,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50012605
PNG
(CHEMBL3260825)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1 |r|
Show InChI InChI=1S/C22H25N9O/c1-15-8-11-29(22-23-14-18-16(2)27-28(3)20(18)26-22)12-13-30(15)21(32)17-6-4-5-7-19(17)31-24-9-10-25-31/h4-7,9-10,14-15H,8,11-13H2,1-3H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay

Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%