BDBM97406 Orexin receptor antagonist 1::US20130102619, 1
SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C#N
InChI Key: InChIKey=FOEWIXNBXKVERV-NVXWUHKLSA-N
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)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description The inhibition constant (ki) is determined using a radioligand assay. | US Patent US20130102619 (2013) BindingDB Entry DOI: 10.7270/Q2K64GP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description 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 ex... | Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. 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... | Bioorg Med Chem Lett 27: 1364-1370 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 813 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA US Patent | Assay Description The inhibition constant (ki) is determined using a radioligand assay. | US Patent US20130102619 (2013) BindingDB Entry DOI: 10.7270/Q2K64GP7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 829 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. 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... | Bioorg Med Chem Lett 27: 1364-1370 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 830 | 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 ... | Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Curated by ChEMBL | Assay Description Antagonist activity at human OX1R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A a... | Bioorg Med Chem Lett 27: 1364-1370 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (OX2) (Rattus norvegicus (Rat)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | 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 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Curated by ChEMBL | Assay Description Antagonist activity at human OX2R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A a... | Bioorg Med Chem Lett 27: 1364-1370 (2017) BindingDB Entry DOI: 10.7270/Q2WH2S8Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity against human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intercellular Ca2+ mobilization by FLIPR a... | Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.65E+3 | 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 (Homo sapiens (Human)) | BDBM97406 (Orexin receptor antagonist 1 | US20130102619, 1) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity against human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intercellular Ca2+ mobilization by FLIPR a... | Bioorg Med Chem Lett 25: 2488-92 (2015) Article DOI: 10.1016/j.bmcl.2015.04.066 BindingDB Entry DOI: 10.7270/Q28S4RN5 | |||||||||||
More data for this Ligand-Target Pair |