Found 15 hits for monomerid = 50258741 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
(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 UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp... |
J Med Chem 53: 5320-32 (2010)
Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61 |
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 UniProtKB/TrEMBL
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 (unknown origin) |
Bioorg Med Chem Lett 19: 2997-3001 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.026 BindingDB Entry DOI: 10.7270/Q22J6BR1 |
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 UniProtKB/TrEMBL
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 OX2R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F |
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 UniProtKB/TrEMBL
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 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 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 Displacement of [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expre... |
J Med Chem 53: 5320-32 (2010)
Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61 |
More data for this Ligand-Target Pair | |
Orexin 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 (unknown origin) |
Bioorg Med Chem Lett 19: 2997-3001 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.026 BindingDB Entry DOI: 10.7270/Q22J6BR1 |
More data for this Ligand-Target Pair | |
Orexin 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 OX1R |
Bioorg Med Chem Lett 20: 4201-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.047 BindingDB Entry DOI: 10.7270/Q25Q4X3F |
More data for this Ligand-Target Pair | |
Orexin 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 Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C... |
J Med Chem 53: 5320-32 (2010)
Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61 |
More data for this Ligand-Target Pair | |
Orexin 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
| 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 OX1R (unknown origin) |
J Med Chem 59: 504-30 (2016)
BindingDB Entry DOI: 10.7270/Q29C709W |
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 UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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 OX2R (unknown origin) |
J Med Chem 59: 504-30 (2016)
BindingDB Entry DOI: 10.7270/Q29C709W |
More data for this Ligand-Target Pair | |
Orexin 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 human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins b... |
J Med Chem 53: 5320-32 (2010)
Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61 |
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 UniProtKB/TrEMBL
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 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 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 UniProtKB/TrEMBL
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 human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins b... |
J Med Chem 53: 5320-32 (2010)
Article DOI: 10.1021/jm100541c BindingDB Entry DOI: 10.7270/Q29K4C61 |
More data for this Ligand-Target Pair | |