Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50031520 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314676
((4-(6-fluoroquinazolin-2-yl)-1,4-diazepan-1-yl)(5-...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C23H22FN7O/c1-16-3-6-21(31-26-7-8-27-31)19(13-16)22(32)29-9-2-10-30(12-11-29)23-25-15-17-14-18(24)4-5-20(17)28-23/h3-8,13-15H,2,9-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314681
((5-chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(6-fl...)Show SMILES Fc1ccc2nc(ncc2c1)N1CC2CC1CN(C2)C(=O)c1cc(Cl)ccc1-n1nccn1 Show InChI InChI=1S/C23H19ClFN7O/c24-16-1-4-21(32-27-5-6-28-32)19(9-16)22(33)30-11-14-7-18(13-30)31(12-14)23-26-10-15-8-17(25)2-3-20(15)29-23/h1-6,8-10,14,18H,7,11-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314681
((5-chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(6-fl...)Show SMILES Fc1ccc2nc(ncc2c1)N1CC2CC1CN(C2)C(=O)c1cc(Cl)ccc1-n1nccn1 Show InChI InChI=1S/C23H19ClFN7O/c24-16-1-4-21(32-27-5-6-28-32)19(9-16)22(33)30-11-14-7-18(13-30)31(12-14)23-26-10-15-8-17(25)2-3-20(15)29-23/h1-6,8-10,14,18H,7,11-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50258741
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314676
((4-(6-fluoroquinazolin-2-yl)-1,4-diazepan-1-yl)(5-...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C23H22FN7O/c1-16-3-6-21(31-26-7-8-27-31)19(13-16)22(32)29-9-2-10-30(12-11-29)23-25-15-17-14-18(24)4-5-20(17)28-23/h3-8,13-15H,2,9-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50258741
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314678
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(3-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC1CN(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)30-14-17-11-19(30)15-29(13-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314678
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(3-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC1CN(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)30-14-17-11-19(30)15-29(13-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314679
((6-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2....)Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CC1CN2c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-7-8-28-32)20(10-15)23(33)30-9-6-18-12-19(30)14-31(18)24-26-13-16-11-17(25)3-4-21(16)29-24/h2-5,7-8,10-11,13,18-19H,6,9,12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314679
((6-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2....)Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CC1CN2c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-7-8-28-32)20(10-15)23(33)30-9-6-18-12-19(30)14-31(18)24-26-13-16-11-17(25)3-4-21(16)29-24/h2-5,7-8,10-11,13,18-19H,6,9,12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314680
((2-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2....)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC1CCN2c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-7-8-28-32)20(10-15)23(33)31-14-19-12-18(31)6-9-30(19)24-26-13-16-11-17(25)3-4-21(16)29-24/h2-5,7-8,10-11,13,18-19H,6,9,12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX1 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314680
((2-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2....)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC1CCN2c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-7-8-28-32)20(10-15)23(33)31-14-19-12-18(31)6-9-30(19)24-26-13-16-11-17(25)3-4-21(16)29-24/h2-5,7-8,10-11,13,18-19H,6,9,12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to OX2 receptor by radioligand displacement assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314676
((4-(6-fluoroquinazolin-2-yl)-1,4-diazepan-1-yl)(5-...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C23H22FN7O/c1-16-3-6-21(31-26-7-8-27-31)19(13-16)22(32)29-9-2-10-30(12-11-29)23-25-15-17-14-18(24)4-5-20(17)28-23/h3-8,13-15H,2,9-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50258741
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50258741
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314676
((4-(6-fluoroquinazolin-2-yl)-1,4-diazepan-1-yl)(5-...)Show SMILES Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C23H22FN7O/c1-16-3-6-21(31-26-7-8-27-31)19(13-16)22(32)29-9-2-10-30(12-11-29)23-25-15-17-14-18(24)4-5-20(17)28-23/h3-8,13-15H,2,9-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314678
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(3-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC1CN(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)30-14-17-11-19(30)15-29(13-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314678
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(3-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC1CN(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)30-14-17-11-19(30)15-29(13-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314680
((2-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2....)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC1CCN2c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-7-8-28-32)20(10-15)23(33)31-14-19-12-18(31)6-9-30(19)24-26-13-16-11-17(25)3-4-21(16)29-24/h2-5,7-8,10-11,13,18-19H,6,9,12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314680
((2-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2....)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC1CCN2c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-7-8-28-32)20(10-15)23(33)31-14-19-12-18(31)6-9-30(19)24-26-13-16-11-17(25)3-4-21(16)29-24/h2-5,7-8,10-11,13,18-19H,6,9,12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50314679
((6-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2....)Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CC1CN2c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-7-8-28-32)20(10-15)23(33)30-9-6-18-12-19(30)14-31(18)24-26-13-16-11-17(25)3-4-21(16)29-24/h2-5,7-8,10-11,13,18-19H,6,9,12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314677
((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(6-(quin...)Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CC(C1)N(C2)c1ncc2ccccc2n1)-n1nccn1 Show InChI InChI=1S/C24H23N7O/c1-16-6-7-22(31-26-8-9-27-31)20(10-16)23(32)29-13-17-11-19(15-29)30(14-17)24-25-12-18-4-2-3-5-21(18)28-24/h2-10,12,17,19H,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50314679
((6-(6-fluoroquinazolin-2-yl)-2,6-diazabicyclo[3.2....)Show SMILES Cc1ccc(c(c1)C(=O)N1CCC2CC1CN2c1ncc2cc(F)ccc2n1)-n1nccn1 Show InChI InChI=1S/C24H22FN7O/c1-15-2-5-22(32-27-7-8-28-32)20(10-15)23(33)30-9-6-18-12-19(30)14-31(18)24-26-13-16-11-17(25)3-4-21(16)29-24/h2-5,7-8,10-11,13,18-19H,6,9,12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 OX2 receptor assessed as inhibition of calcium flux by FLIPR assay |
Bioorg Med Chem Lett 20: 2311-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.138
BindingDB Entry DOI: 10.7270/Q2MK6D26 |
More data for this
Ligand-Target Pair | |
Search and Browse
