null

SMILES: COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1

InChI Key: InChIKey=JVILZWKBBUPTPP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50447804   

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))	BDBM50447804 (CHEMBL3113752 | US9242970, 57) Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	3	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 receptor type 2 (Homo sapiens (Human))	BDBM50447804 (CHEMBL3113752 | US9242970, 57) Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447804 (CHEMBL3113752 | US9242970, 57) Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447804 (CHEMBL3113752 | US9242970, 57) Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	5	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