BDBM104689 US8569311, A-9
SMILES: C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
InChI Key: InChIKey=SWJLISCOLSUHGG-IAGOWNOFSA-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)) | BDBM104689 (US8569311, A-9) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | 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 human OX2 receptor in cell membrane by in vitro radioligand binding assay | Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (OX2) (Rattus norvegicus (Rat)) | BDBM104689 (US8569311, A-9) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merch Sharp & Dohme Corp. US Patent | Assay Description Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430. | US Patent US8569311 (2013) BindingDB Entry DOI: 10.7270/Q2TT4PM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM104689 (US8569311, A-9) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | 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 human OX1 receptor in cell membrane by in vitro radioligand binding assay | Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat)) | BDBM104689 (US8569311, A-9) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merch Sharp & Dohme Corp. US Patent | Assay Description Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430. | US Patent US8569311 (2013) BindingDB Entry DOI: 10.7270/Q2TT4PM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM104689 (US8569311, A-9) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity at human OX1 receptor assessed as Ca2+ flux by FLIPR assay | Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM104689 (US8569311, A-9) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity at human OX2 receptor assessed as Ca2+ flux by FLIPR assay | Bioorg Med Chem Lett 24: 1784-9 (2014) Article DOI: 10.1016/j.bmcl.2014.02.026 BindingDB Entry DOI: 10.7270/Q2RV0Q6F | |||||||||||
More data for this Ligand-Target Pair |