Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50447807'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50447807 (CHEMBL3113749 | US9242970, 219) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1nccs1 Show InChI InChI=1S/C22H23N3O3S/c1-27-18-6-4-7-19(28-2)21(18)17-5-3-8-20(26)25(17)14-15-9-10-23-16(13-15)22-24-11-12-29-22/h4,6-7,9-13,17H,3,5,8,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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))	BDBM50447807 (CHEMBL3113749 | US9242970, 219) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1nccs1 Show InChI InChI=1S/C22H23N3O3S/c1-27-18-6-4-7-19(28-2)21(18)17-5-3-8-20(26)25(17)14-15-9-10-23-16(13-15)22-24-11-12-29-22/h4,6-7,9-13,17H,3,5,8,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	19	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