BindingDB logo
myBDB logout

PubMed code 28216404

Compile data set for download or QSAR
Found 60 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))		BDBM50233310
PNG
(CHEMBL4090815)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ncc2cc(F)ccc2n1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-6-7-28-32)20(8-15)23(33)30-11-17-13-31(14-18(17)12-30)24-26-10-16-9-19(25)3-4-21(16)29-24/h2-10,17-18H,11-14H2,1H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 108n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233313
PNG
(CHEMBL4060141)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(C)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H24N6O2/c1-15-3-5-21(30-25-7-8-26-30)19(9-15)23(31)28-11-17-13-29(14-18(17)12-28)24-27-20-10-16(2)4-6-22(20)32-24/h3-10,17-18H,11-14H2,1-2H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 113n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233311
PNG
(CHEMBL4071500)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(F)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H21FN6O2/c1-14-2-4-20(30-25-6-7-26-30)18(8-14)22(31)28-10-15-12-29(13-16(15)11-28)23-27-19-9-17(24)3-5-21(19)32-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 131n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
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 138n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233316
PNG
(CHEMBL4079856)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H22N6O2/c1-15-6-7-20(29-24-8-9-25-29)18(10-15)22(30)27-11-16-13-28(14-17(16)12-27)23-26-19-4-2-3-5-21(19)31-23/h2-10,16-17H,11-14H2,1H3/t16-,17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 178n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
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 199n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233295
PNG
(CHEMBL4078722)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H21ClN6O2/c1-14-2-4-20(30-25-6-7-26-30)18(8-14)22(31)28-10-15-12-29(13-16(15)11-28)23-27-19-9-17(24)3-5-21(19)32-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 206n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233313
PNG
(CHEMBL4060141)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(C)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H24N6O2/c1-15-3-5-21(30-25-7-8-26-30)19(9-15)23(31)28-11-17-13-29(14-18(17)12-28)24-27-20-10-16(2)4-6-22(20)32-24/h3-10,17-18H,11-14H2,1-2H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 211n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233310
PNG
(CHEMBL4090815)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ncc2cc(F)ccc2n1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-6-7-28-32)20(8-15)23(33)30-11-17-13-31(14-18(17)12-30)24-26-10-16-9-19(25)3-4-21(16)29-24/h2-10,17-18H,11-14H2,1H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 216n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233295
PNG
(CHEMBL4078722)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H21ClN6O2/c1-14-2-4-20(30-25-6-7-26-30)18(8-14)22(31)28-10-15-12-29(13-16(15)11-28)23-27-19-9-17(24)3-5-21(19)32-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 226n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233303
PNG
(CHEMBL4060270)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H19ClN6O2/c23-16-5-6-20-18(9-16)26-22(31-20)28-12-14-10-27(11-15(14)13-28)21(30)17-3-1-2-4-19(17)29-24-7-8-25-29/h1-9,14-15H,10-13H2/t14-,15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 238n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233311
PNG
(CHEMBL4071500)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(F)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H21FN6O2/c1-14-2-4-20(30-25-6-7-26-30)18(8-14)22(31)28-10-15-12-29(13-16(15)11-28)23-27-19-9-17(24)3-5-21(19)32-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 293n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233316
PNG
(CHEMBL4079856)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H22N6O2/c1-15-6-7-20(29-24-8-9-25-29)18(10-15)22(30)27-11-16-13-28(14-17(16)12-27)23-26-19-4-2-3-5-21(19)31-23/h2-10,16-17H,11-14H2,1H3/t16-,17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 303n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233320
PNG
(CHEMBL4098537)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(OC)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H24N6O3/c1-15-3-5-21(30-25-7-8-26-30)19(9-15)23(31)28-11-16-13-29(14-17(16)12-28)24-27-20-10-18(32-2)4-6-22(20)33-24/h3-10,16-17H,11-14H2,1-2H3/t16-,17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 311n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233322
PNG
(CHEMBL4090932)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2s1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H21ClN6OS/c1-14-2-4-20(30-25-6-7-26-30)18(8-14)22(31)28-10-15-12-29(13-16(15)11-28)23-27-19-9-17(24)3-5-21(19)32-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 327n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233298
PNG
(CHEMBL4103978)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CN(CC12)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O2/c1-14-2-4-19(30-25-7-8-26-30)17(10-14)22(31)29-9-6-15-12-28(13-20(15)29)23-27-18-11-16(24)3-5-21(18)32-23/h2-5,7-8,10-11,15,20H,6,9,12-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 354n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233304
PNG
(CHEMBL4098665)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(OC)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H21ClN6O3/c1-32-17-3-4-20(30-25-6-7-26-30)18(9-17)22(31)28-10-14-12-29(13-15(14)11-28)23-27-19-8-16(24)2-5-21(19)33-23/h2-9,14-15H,10-13H2,1H3/t14-,15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 387n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233320
PNG
(CHEMBL4098537)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(OC)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H24N6O3/c1-15-3-5-21(30-25-7-8-26-30)19(9-15)23(31)28-11-16-13-29(14-17(16)12-28)24-27-20-10-18(32-2)4-6-22(20)33-24/h3-10,16-17H,11-14H2,1-2H3/t16-,17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 401n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233303
PNG
(CHEMBL4060270)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H19ClN6O2/c23-16-5-6-20-18(9-16)26-22(31-20)28-12-14-10-27(11-15(14)13-28)21(30)17-3-1-2-4-19(17)29-24-7-8-25-29/h1-9,14-15H,10-13H2/t14-,15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 489n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233324
PNG
(CHEMBL4080625)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(OC(F)(F)F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H18ClF3N6O3/c24-15-1-4-20-18(7-15)30-22(35-20)32-11-13-9-31(10-14(13)12-32)21(34)17-8-16(36-23(25,26)27)2-3-19(17)33-28-5-6-29-33/h1-8,13-14H,9-12H2/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 502n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233317
PNG
(CHEMBL4097880)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(ccc2o1)C(F)(F)F)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H21F3N6O2/c1-14-2-4-20(33-28-6-7-29-33)18(8-14)22(34)31-10-15-12-32(13-16(15)11-31)23-30-19-9-17(24(25,26)27)3-5-21(19)35-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 508n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233304
PNG
(CHEMBL4098665)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(OC)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H21ClN6O3/c1-32-17-3-4-20(30-25-6-7-26-30)18(9-17)22(31)28-10-14-12-29(13-15(14)11-28)23-27-19-8-16(24)2-5-21(19)33-23/h2-9,14-15H,10-13H2,1H3/t14-,15+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 517n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233315
PNG
(CHEMBL4105616)
Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2ccccc2o1)-n1nccn1 |r|
Show InChI InChI=1S/C23H20F2N6O2/c1-15-6-7-18(31-26-8-9-27-31)16(10-15)20(32)29-11-22(24)13-30(14-23(22,25)12-29)21-28-17-4-2-3-5-19(17)33-21/h2-10H,11-14H2,1H3/t22-,23+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 575n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233314
PNG
(CHEMBL4087734)
Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 |r|
Show InChI InChI=1S/C23H19ClF2N6O2/c1-14-2-4-18(32-27-6-7-28-32)16(8-14)20(33)30-10-22(25)12-31(13-23(22,26)11-30)21-29-17-9-15(24)3-5-19(17)34-21/h2-9H,10-13H2,1H3/t22-,23+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 639n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233296
PNG
(CHEMBL4102998)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2(C)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-3-5-20(31-26-7-8-27-31)18(9-15)22(32)29-11-16-12-30(14-24(16,2)13-29)23-28-19-10-17(25)4-6-21(19)33-23/h3-10,16H,11-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 736n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233314
PNG
(CHEMBL4087734)
Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 |r|
Show InChI InChI=1S/C23H19ClF2N6O2/c1-14-2-4-18(32-27-6-7-28-32)16(8-14)20(33)30-10-22(25)12-31(13-23(22,26)11-30)21-29-17-9-15(24)3-5-19(17)34-21/h2-9H,10-13H2,1H3/t22-,23+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 759n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233306
PNG
(CHEMBL4093272)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2n1C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H25N7O/c1-16-7-8-21(31-25-9-10-26-31)19(11-16)23(32)29-12-17-14-30(15-18(17)13-29)24-27-20-5-3-4-6-22(20)28(24)2/h3-11,17-18H,12-15H2,1-2H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 775n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233302
PNG
(CHEMBL4088494)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H18ClFN6O2/c23-15-1-4-20-18(7-15)27-22(32-20)29-11-13-9-28(10-14(13)12-29)21(31)17-8-16(24)2-3-19(17)30-25-5-6-26-30/h1-8,13-14H,9-12H2/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 791n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233315
PNG
(CHEMBL4105616)
Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2ccccc2o1)-n1nccn1 |r|
Show InChI InChI=1S/C23H20F2N6O2/c1-15-6-7-18(31-26-8-9-27-31)16(10-15)20(32)29-11-22(24)13-30(14-23(22,25)12-29)21-28-17-4-2-3-5-19(17)33-21/h2-10H,11-14H2,1H3/t22-,23+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 908n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233323
PNG
(CHEMBL4083024)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(co1)-c1cccc(Cl)c1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C25H23ClN6O2/c1-16-5-6-23(32-27-7-8-28-32)21(9-16)24(33)30-11-18-13-31(14-19(18)12-30)25-29-22(15-34-25)17-3-2-4-20(26)10-17/h2-10,15,18-19H,11-14H2,1H3/t18-,19+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233305
PNG
(CHEMBL4069949)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(ccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18ClF3N6O2/c24-16-2-4-20-18(8-16)30-22(35-20)32-11-13-9-31(10-14(13)12-32)21(34)17-7-15(23(25,26)27)1-3-19(17)33-28-5-6-29-33/h1-8,13-14H,9-12H2/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233296
PNG
(CHEMBL4102998)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2(C)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-3-5-20(31-26-7-8-27-31)18(9-15)22(32)29-11-16-12-30(14-24(16,2)13-29)23-28-19-10-17(25)4-6-21(19)33-23/h3-10,16H,11-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233322
PNG
(CHEMBL4090932)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2s1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H21ClN6OS/c1-14-2-4-20(30-25-6-7-26-30)18(8-14)22(31)28-10-15-12-29(13-16(15)11-28)23-27-19-9-17(24)3-5-21(19)32-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233300
PNG
(CHEMBL4068943)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H18Cl2N6O2/c23-15-1-3-19(30-25-5-6-26-30)17(7-15)21(31)28-9-13-11-29(12-14(13)10-28)22-27-18-8-16(24)2-4-20(18)32-22/h1-8,13-14H,9-12H2/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.27E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233324
PNG
(CHEMBL4080625)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(OC(F)(F)F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H18ClF3N6O3/c24-15-1-4-20-18(7-15)30-22(35-20)32-11-13-9-31(10-14(13)12-32)21(34)17-8-16(36-23(25,26)27)2-3-19(17)33-28-5-6-29-33/h1-8,13-14H,9-12H2/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.52E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233306
PNG
(CHEMBL4093272)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2n1C)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H25N7O/c1-16-7-8-21(31-25-9-10-26-31)19(11-16)23(32)29-12-17-14-30(15-18(17)13-29)24-27-20-5-3-4-6-22(20)28(24)2/h3-11,17-18H,12-15H2,1-2H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.64E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233308
PNG
(CHEMBL4101007)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ncnc2ccccc12)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-27-8-9-28-31)20(10-16)24(32)30-13-17-11-29(12-18(17)14-30)23-19-4-2-3-5-21(19)25-15-26-23/h2-10,15,17-18H,11-14H2,1H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.69E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233317
PNG
(CHEMBL4097880)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(ccc2o1)C(F)(F)F)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H21F3N6O2/c1-14-2-4-20(33-28-6-7-29-33)18(8-14)22(34)31-10-15-12-32(13-16(15)11-31)23-30-19-9-17(24(25,26)27)3-5-21(19)35-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233309
PNG
(CHEMBL4062883)
Show SMILES [H][C@@]12CN(Cc3nc4cc(Cl)ccc4o3)C[C@]1([H])CN(C2)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H23ClN6O2/c1-15-2-4-21(31-26-6-7-27-31)19(8-15)24(32)30-12-16-10-29(11-17(16)13-30)14-23-28-20-9-18(25)3-5-22(20)33-23/h2-9,16-17H,10-14H2,1H3/t16-,17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233318
PNG
(CHEMBL4090936)
Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@]2(C)CN(C[C@]2(C)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 |r|
Show InChI InChI=1S/C25H25ClN6O2/c1-16-4-6-20(32-27-8-9-28-32)18(10-16)22(33)30-12-24(2)14-31(15-25(24,3)13-30)23-29-19-11-17(26)5-7-21(19)34-23/h4-11H,12-15H2,1-3H3/t24-,25+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233302
PNG
(CHEMBL4088494)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H18ClFN6O2/c23-15-1-4-20-18(7-15)27-22(32-20)29-11-13-9-28(10-14(13)12-29)21(31)17-8-16(24)2-3-19(17)30-25-5-6-26-30/h1-8,13-14H,9-12H2/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.96E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233323
PNG
(CHEMBL4083024)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(co1)-c1cccc(Cl)c1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C25H23ClN6O2/c1-16-5-6-23(32-27-7-8-28-32)21(9-16)24(33)30-11-18-13-31(14-19(18)12-30)25-29-22(15-34-25)17-3-2-4-20(26)10-17/h2-10,15,18-19H,11-14H2,1H3/t18-,19+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.79E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233298
PNG
(CHEMBL4103978)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CN(CC12)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O2/c1-14-2-4-19(30-25-7-8-26-30)17(10-14)22(31)29-9-6-15-12-28(13-20(15)29)23-27-18-11-16(24)3-5-21(18)32-23/h2-5,7-8,10-11,15,20H,6,9,12-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.97E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233309
PNG
(CHEMBL4062883)
Show SMILES [H][C@@]12CN(Cc3nc4cc(Cl)ccc4o3)C[C@]1([H])CN(C2)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H23ClN6O2/c1-15-2-4-21(31-26-6-7-27-31)19(8-15)24(32)30-12-16-10-29(11-17(16)13-30)14-23-28-20-9-18(25)3-5-22(20)33-23/h2-9,16-17H,10-14H2,1H3/t16-,17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.24E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233312
PNG
(CHEMBL4082033)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(OC(F)(F)F)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H21F3N6O3/c1-14-2-4-20(33-28-6-7-29-33)18(8-14)22(34)31-10-15-12-32(13-16(15)11-31)23-30-19-9-17(36-24(25,26)27)3-5-21(19)35-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.92E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233312
PNG
(CHEMBL4082033)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(OC(F)(F)F)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H21F3N6O3/c1-14-2-4-20(33-28-6-7-29-33)18(8-14)22(34)31-10-15-12-32(13-16(15)11-31)23-30-19-9-17(36-24(25,26)27)3-5-21(19)35-23/h2-9,15-16H,10-13H2,1H3/t15-,16+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.71E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233307
PNG
(CHEMBL4072543)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)c(C)c(C)n1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H27N7O/c1-14-5-6-21(30-24-7-8-25-30)20(9-14)22(31)28-10-18-12-29(13-19(18)11-28)23-26-16(3)15(2)17(4)27-23/h5-9,18-19H,10-13H2,1-4H3/t18-,19+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.85E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233305
PNG
(CHEMBL4069949)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(ccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18ClF3N6O2/c24-16-2-4-20-18(8-16)30-22(35-20)32-11-13-9-31(10-14(13)12-32)21(34)17-7-15(23(25,26)27)1-3-19(17)33-28-5-6-29-33/h1-8,13-14H,9-12H2/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.02E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233318
PNG
(CHEMBL4090936)
Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@]2(C)CN(C[C@]2(C)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 |r|
Show InChI InChI=1S/C25H25ClN6O2/c1-16-4-6-20(32-27-8-9-28-32)18(10-16)22(33)30-12-24(2)14-31(15-25(24,3)13-30)23-29-19-11-17(26)5-7-21(19)34-23/h4-11H,12-15H2,1-3H3/t24-,25+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.99E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233300
PNG
(CHEMBL4068943)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2o1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H18Cl2N6O2/c23-15-1-3-19(30-25-5-6-26-30)17(7-15)21(31)28-9-13-11-29(12-14(13)10-28)22-27-18-8-16(24)2-4-20(18)32-22/h1-8,13-14H,9-12H2/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233299
PNG
(CHEMBL4079714)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CCCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-4-6-20(31-26-8-9-27-31)18(11-15)23(32)29-13-16-3-2-10-30(21(16)14-29)24-28-19-12-17(25)5-7-22(19)33-24/h4-9,11-12,16,21H,2-3,10,13-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233321
PNG
(CHEMBL4096217)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC2CN(CC12)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-4-6-20(31-26-8-9-27-31)18(11-15)23(32)30-10-2-3-16-13-29(14-21(16)30)24-28-19-12-17(25)5-7-22(19)33-24/h4-9,11-12,16,21H,2-3,10,13-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233299
PNG
(CHEMBL4079714)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CCCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-4-6-20(31-26-8-9-27-31)18(11-15)23(32)29-13-16-3-2-10-30(21(16)14-29)24-28-19-12-17(25)5-7-22(19)33-24/h4-9,11-12,16,21H,2-3,10,13-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233321
PNG
(CHEMBL4096217)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC2CN(CC12)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-4-6-20(31-26-8-9-27-31)18(11-15)23(32)30-10-2-3-16-13-29(14-21(16)30)24-28-19-12-17(25)5-7-22(19)33-24/h4-9,11-12,16,21H,2-3,10,13-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233308
PNG
(CHEMBL4101007)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ncnc2ccccc12)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-27-8-9-28-31)20(10-16)24(32)30-13-17-11-29(12-18(17)14-30)23-19-4-2-3-5-21(19)25-15-26-23/h2-10,15,17-18H,11-14H2,1H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233297
PNG
(CHEMBL4069952)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O2/c1-14-2-4-19(30-25-7-8-26-30)17(10-14)22(31)28-12-15-6-9-29(20(15)13-28)23-27-18-11-16(24)3-5-21(18)32-23/h2-5,7-8,10-11,15,20H,6,9,12-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50233297
PNG
(CHEMBL4069952)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O2/c1-14-2-4-19(30-25-7-8-26-30)17(10-14)22(31)28-12-15-6-9-29(20(15)13-28)23-27-18-11-16(24)3-5-21(18)32-23/h2-5,7-8,10-11,15,20H,6,9,12-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50233307
PNG
(CHEMBL4072543)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)c(C)c(C)n1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H27N7O/c1-14-5-6-21(30-24-7-8-25-30)20(9-14)22(31)28-10-18-12-29(13-19(18)11-28)23-26-16(3)15(2)17(4)27-23/h5-9,18-19H,10-13H2,1-4H3/t18-,19+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50233314
PNG
(CHEMBL4087734)
Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 |r|
Show InChI InChI=1S/C23H19ClF2N6O2/c1-14-2-4-18(32-27-6-7-28-32)16(8-14)20(33)30-10-22(25)12-31(13-23(22,26)11-30)21-29-17-9-15(24)3-5-19(17)34-21/h2-9H,10-13H2,1H3/t22-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50233315
PNG
(CHEMBL4105616)
Show SMILES Cc1ccc(c(c1)C(=O)N1C[C@]2(F)CN(C[C@]2(F)C1)c1nc2ccccc2o1)-n1nccn1 |r|
Show InChI InChI=1S/C23H20F2N6O2/c1-15-6-7-18(31-26-8-9-27-31)16(10-15)20(32)29-11-22(24)13-30(14-23(22,25)12-29)21-28-17-4-2-3-5-19(17)33-21/h2-10H,11-14H2,1H3/t22-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%