Found 25 hits of ic50 data for polymerid = 50006438,5449 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97406
(Orexin receptor antagonist 1 | US20130102619, 1)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H20N6O2/c1-15-6-7-17(29-20-12-16(13-22)8-9-23-20)14-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97397
(Orexin receptor antagonist 29 | Orexin receptor an...)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(Cl)cc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H19ClN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-5-3-16(22)11-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97397
(Orexin receptor antagonist 29 | Orexin receptor an...)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(Cl)cc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H19ClN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-5-3-16(22)11-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97373
(Orexin receptor antagonist 5 | US20130102619, 5)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(C)c1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C22H22N6O2/c1-15-4-3-5-19(21(15)28-25-10-11-26-28)22(29)27-14-18(7-6-16(27)2)30-20-12-17(13-23)8-9-24-20/h3-5,8-12,16,18H,6-7,14H2,1-2H3/t16-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97408
(Orexin receptor antagonist 3 | US20130102619, 3)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1noc(C)n1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-14-7-8-17(29-20-11-16(12-23)9-10-24-20)13-27(14)22(28)19-6-4-3-5-18(19)21-25-15(2)30-26-21/h3-6,9-11,14,17H,7-8,13H2,1-2H3/t14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97375
(Orexin receptor antagonist 6 | US20130102619, 6)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(F)c1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H19FN6O2/c1-14-5-6-16(30-19-11-15(12-23)7-8-24-19)13-27(14)21(29)17-3-2-4-18(22)20(17)28-25-9-10-26-28/h2-4,7-11,14,16H,5-6,13H2,1H3/t14-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97378
(Orexin receptor antagonist 9 | US20130102619, 9)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(C)cc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C22H22N6O2/c1-15-3-6-19(20(11-15)28-25-9-10-26-28)22(29)27-14-18(5-4-16(27)2)30-21-12-17(13-23)7-8-24-21/h3,6-12,16,18H,4-5,14H2,1-2H3/t16-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97390
(Orexin receptor antagonist 22 | US20130102619, 22)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H19FN6O2/c1-14-5-6-16(30-19-11-15(12-23)7-8-24-19)13-27(14)21(29)20-17(22)3-2-4-18(20)28-25-9-10-26-28/h2-4,7-11,14,16H,5-6,13H2,1H3/t14-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97407
(Orexin receptor antagonist 2 | US20130102619, 2)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C23H21N5O2/c1-16-7-8-18(30-21-13-17(14-24)9-12-25-21)15-28(16)23(29)20-6-3-2-5-19(20)22-26-10-4-11-27-22/h2-6,9-13,16,18H,7-8,15H2,1H3/t16-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97377
(Orexin receptor antagonist 8 | US20130102619, 8)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H19FN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-5-3-16(22)11-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97379
(Orexin receptor antagonist 10 | US20130102619, 10)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C19H18N6O2S/c1-13-2-3-15(27-17-10-14(11-20)4-6-21-17)12-24(13)18(26)16-5-9-28-19(16)25-22-7-8-23-25/h4-10,13,15H,2-3,12H2,1H3/t13-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97374
(Orexin receptor antagonist 4 | US20130102619, 4)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(C)cccc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C22H22N6O2/c1-15-4-3-5-19(28-25-10-11-26-28)21(15)22(29)27-14-18(7-6-16(27)2)30-20-12-17(13-23)8-9-24-20/h3-5,8-12,16,18H,6-7,14H2,1-2H3/t16-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97403
(Orexin receptor antagonist 35 | US20130102619, 35)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-c1ncccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C23H20FN5O2/c1-15-3-5-18(31-21-11-16(13-25)7-10-26-21)14-29(15)23(30)20-12-17(24)4-6-19(20)22-27-8-2-9-28-22/h2,4,6-12,15,18H,3,5,14H2,1H3/t15-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97399
(Orexin receptor antagonist 31 | US20130102619, 31)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1sccc1-c1ncccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H19N5O2S/c1-14-3-4-16(28-18-11-15(12-22)5-9-23-18)13-26(14)21(27)19-17(6-10-29-19)20-24-7-2-8-25-20/h2,5-11,14,16H,3-4,13H2,1H3/t14-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97400
(Orexin receptor antagonist 32 | US20130102619, 32)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H19N5O2S/c1-14-3-4-16(28-18-11-15(12-22)5-9-23-18)13-26(14)21(27)17-6-10-29-19(17)20-24-7-2-8-25-20/h2,5-11,14,16H,3-4,13H2,1H3/t14-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97404
(Orexin receptor antagonist 36 | US20130102619, 36)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-c1ncccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C23H20FN5O2/c1-15-6-7-17(31-20-12-16(13-25)8-11-26-20)14-29(15)23(30)21-18(4-2-5-19(21)24)22-27-9-3-10-28-22/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97402
(Orexin receptor antagonist 34 | US20130102619, 34)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1ncccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C23H20FN5O2/c1-15-3-5-18(31-21-11-16(13-25)7-10-26-21)14-29(15)23(30)19-6-4-17(24)12-20(19)22-27-8-2-9-28-22/h2,4,6-12,15,18H,3,5,14H2,1H3/t15-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97401
(Orexin receptor antagonist 33 | US20130102619, 33)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(F)c1-c1ncccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C23H20FN5O2/c1-15-6-7-17(31-20-12-16(13-25)8-11-26-20)14-29(15)23(30)18-4-2-5-19(24)21(18)22-27-9-3-10-28-22/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97384
(Orexin receptor antagonist 15 | US20130102619, 15)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(Br)ccc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C21H19BrN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-11-16(22)3-5-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97383
(Orexin receptor antagonist 14 | US20130102619, 14)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1sccc1-n1nccn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C19H18N6O2S/c1-13-2-3-15(27-17-10-14(11-20)4-6-21-17)12-24(13)19(26)18-16(5-9-28-18)25-22-7-8-23-25/h4-10,13,15H,2-3,12H2,1H3/t13-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97388
(Orexin receptor antagonist 20 | US20130102619, 20)Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cc(ccn2)C#N)c(n1)C1CC1 |r| Show InChI InChI=1S/C22H24N4O3/c1-14-3-6-17(29-20-11-15(12-23)9-10-24-20)13-26(14)22(27)18-7-8-19(28-2)25-21(18)16-4-5-16/h7-11,14,16-17H,3-6,13H2,1-2H3/t14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97385
(Orexin receptor antagonist 17 | US20130102619, 17)Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cc(ccn2)C#N)c(n1)-n1nccn1 |r| Show InChI InChI=1S/C21H21N7O3/c1-14-3-4-16(31-19-11-15(12-22)7-8-23-19)13-27(14)21(29)17-5-6-18(30-2)26-20(17)28-24-9-10-25-28/h5-11,14,16H,3-4,13H2,1-2H3/t14-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM97398
(Orexin receptor antagonist 30 | US20130102619, 30)Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1cc(ccn1)C#N |r| Show InChI InChI=1S/C20H19N7O2/c1-14-6-7-16(29-19-10-15(11-21)8-9-22-19)12-26(14)20(28)17-4-2-3-5-18(17)27-24-13-23-25-27/h2-5,8-10,13-14,16H,6-7,12H2,1H3/t14-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | 37 |
TBA
US Patent
| Assay Description
FLIPR assay using orexin receptor. |
US Patent US20130102619 (2013)
BindingDB Entry DOI: 10.7270/Q2K64GP7 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50060937
(CHEMBL3394848)Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C23H19F2N5O2/c24-23(25)11-14-29(22(31)17-6-2-4-8-19(17)30-26-12-13-27-30)15-20(23)32-21-10-9-16-5-1-3-7-18(16)28-21/h1-10,12-13,20H,11,14-15H2/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat OX2 receptor assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,1... |
Bioorg Med Chem Lett 26: 5809-5814 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.019
BindingDB Entry DOI: 10.7270/Q2MS3VRG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50203731
(CHEMBL3973097)Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1nccc2[nH]cnc12 |r| Show InChI InChI=1S/C21H17F2N5O2/c22-21(23)8-10-28(20(29)19-18-15(7-9-24-19)25-12-26-18)11-16(21)30-17-6-5-13-3-1-2-4-14(13)27-17/h1-7,9,12,16H,8,10-11H2,(H,25,26)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at rat OX2 receptor assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,1... |
Bioorg Med Chem Lett 26: 5809-5814 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.019
BindingDB Entry DOI: 10.7270/Q2MS3VRG |
More data for this
Ligand-Target Pair | |
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