BindingDB PrimarySearch

BDBM104692 US8569311, E-5

SMILES: C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1

InChI Key: InChIKey=NPFDWHQSDBWQLH-QZTJIDSGSA-N

Data: 12 KI 4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 104692
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sosei Heptares Curated by ChEMBL					Assay Description Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...				J Med Chem 63: 1528-1543 (2020) Article DOI: 10.1021/acs.jmedchem.9b01787
Sosei Heptares Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
Janssen Research& Development Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	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 by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	0.300	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 (unknown origin)				J Med Chem 59: 504-30 (2016) BindingDB Entry DOI: 10.7270/Q29C709W
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at orexin-2 receptor (unknown origin)				Bioorg Med Chem Lett 25: 2875-87 (2015) BindingDB Entry DOI: 10.7270/Q2BZ67T9
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 2 (OX2) (Rattus norvegicus (Rat))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	0.310	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
Merch Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sosei Heptares Curated by ChEMBL					Assay Description Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-typ...				J Med Chem 63: 1528-1543 (2020) Article DOI: 10.1021/acs.jmedchem.9b01787
Sosei Heptares Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB PubMed	2.20	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 (unknown origin)				J Med Chem 59: 504-30 (2016) BindingDB Entry DOI: 10.7270/Q29C709W
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at orexin-1 receptor (unknown origin)				Bioorg Med Chem Lett 25: 2875-87 (2015) BindingDB Entry DOI: 10.7270/Q2BZ67T9
Actelion Pharmaceuticals Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
Janssen Research& Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.90	n/a	n/a	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 by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	2.90	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
Merch Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	17	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 by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	11	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 cell membranes assessed as inhibition of orexin-A-induced intracellular calcium release after 120 ...				J Med Chem 59: 504-30 (2016) BindingDB Entry DOI: 10.7270/Q29C709W
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	11	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 cell membranes assessed as inhibition of orexin-A-induced intracellular calcium release after 120 ...				J Med Chem 59: 504-30 (2016) BindingDB Entry DOI: 10.7270/Q29C709W
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB 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 OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)