BDBM50230031 CHEMBL4080914
SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1)ccc3OC
InChI Key: InChIKey=TYARCINDRAOWII-TVOCXUCUSA-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 |
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Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
International Institute for Integrative Sleep Medicine (WPI-IIIS), University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8575, Japan. Curated by ChEMBL | Assay Description Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 ... | Bioorg Med Chem Lett 27: 4176-4179 (2017) Article DOI: 10.1016/j.bmcl.2017.07.011 BindingDB Entry DOI: 10.7270/Q2HQ42D7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 ... | Bioorg Med Chem Lett 28: 774-777 (2018) Article DOI: 10.1016/j.bmcl.2017.12.069 BindingDB Entry DOI: 10.7270/Q2BK1G0R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Antagonist activity at human OX1 receptor expressed in CHOK1 cells assessed as inhibition of orexin-A-induced calcium mobilization preincubated for 1... | Bioorg Med Chem 27: 1747-1758 (2019) Article DOI: 10.1016/j.bmc.2019.03.010 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 1 (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15... | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method | J Med Chem 60: 1018-1040 (2017) BindingDB Entry DOI: 10.7270/Q22N54JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Antagonist activity at human OX2 receptor expressed in CHOK1 cells assessed as inhibition of orexin-A-induced calcium mobilization preincubated for 1... | Bioorg Med Chem 27: 1747-1758 (2019) Article DOI: 10.1016/j.bmc.2019.03.010 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tsukuba Curated by ChEMBL | Assay Description Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 ... | Bioorg Med Chem Lett 28: 774-777 (2018) Article DOI: 10.1016/j.bmcl.2017.12.069 BindingDB Entry DOI: 10.7270/Q2BK1G0R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orexin receptor type 2 (Homo sapiens (Human)) | BDBM50230031 (CHEMBL4080914) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
International Institute for Integrative Sleep Medicine (WPI-IIIS), University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8575, Japan. Curated by ChEMBL | Assay Description Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 ... | Bioorg Med Chem Lett 27: 4176-4179 (2017) Article DOI: 10.1016/j.bmcl.2017.07.011 BindingDB Entry DOI: 10.7270/Q2HQ42D7 | |||||||||||
More data for this Ligand-Target Pair |