null

SMILES: COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1

InChI Key: InChIKey=FKCCJYOXOMCDTQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50447805   

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))	BDBM50447805 (CHEMBL3113751 | US9242970, 35) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O3S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-17-15-29-23(24-17)16-8-4-3-5-9-16/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447805 (CHEMBL3113751 | US9242970, 35) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O3S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-17-15-29-23(24-17)16-8-4-3-5-9-16/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article 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 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))	BDBM50447805 (CHEMBL3113751 | US9242970, 35) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O3S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-17-15-29-23(24-17)16-8-4-3-5-9-16/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	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))	BDBM50447805 (CHEMBL3113751 | US9242970, 35) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O3S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-17-15-29-23(24-17)16-8-4-3-5-9-16/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	28	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