Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50060944'   

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))	BDBM50060944 (CHEMBL3394825) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC(COc2ccc(F)c(C)c2)C1)-n1nccn1 Show InChI InChI=1S/C23H25FN4O2/c1-16-5-8-22(28-25-9-10-26-28)20(12-16)23(29)27-11-3-4-18(14-27)15-30-19-6-7-21(24)17(2)13-19/h5-10,12-13,18H,3-4,11,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50060944 (CHEMBL3394825) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC(COc2ccc(F)c(C)c2)C1)-n1nccn1 Show InChI InChI=1S/C23H25FN4O2/c1-16-5-8-22(28-25-9-10-26-28)20(12-16)23(29)27-11-3-4-18(14-27)15-30-19-6-7-21(24)17(2)13-19/h5-10,12-13,18H,3-4,11,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX1R (unknown origin)				J Med Chem 59: 504-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b00832 BindingDB Entry DOI: 10.7270/Q29C709W
					More data for this Ligand-Target Pair