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SMILES: COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1

InChI Key: InChIKey=OESUYCBPTZMHEI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50447802   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447802 (CHEMBL3113754 | US9242970, 440) Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...				US Patent US9242970 (2016) BindingDB Entry DOI: 10.7270/Q2R49PK4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447802 (CHEMBL3113754 | US9242970, 440) Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447802 (CHEMBL3113754 | US9242970, 440) Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447802 (CHEMBL3113754 | US9242970, 440) Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...				US Patent US9242970 (2016) BindingDB Entry DOI: 10.7270/Q2R49PK4
					More data for this Ligand-Target Pair