BindingDB PrimarySearch

BDBM50438822 CHEMBL2413367

SMILES: COc1ccc(C[C@@H]2N(CCc3cc(OC)c(OC)cc23)[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC

InChI Key: InChIKey=HXHOBPVRRPCTLG-SETSBSEESA-N

Data: 1 KI 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50438822
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))	BDBM50438822 (CHEMBL2413367) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	417	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 (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from human OX2 recep...				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50438822 (CHEMBL2413367) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50438822 (CHEMBL2413367) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	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
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50438822 (CHEMBL2413367) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor (unknown origin)				J Med Chem 56: 6901-16 (2013) Article DOI: 10.1021/jm400720h BindingDB Entry DOI: 10.7270/Q22Z16Z9
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50438822 (CHEMBL2413367) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor (unknown origin)				J Med Chem 56: 6901-16 (2013) Article DOI: 10.1021/jm400720h BindingDB Entry DOI: 10.7270/Q22Z16Z9
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50438822 (CHEMBL2413367) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	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))	BDBM50438822 (CHEMBL2413367) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	417	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