Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM66391'   

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))	BDBM66391 (MLS000326818 | N'-[(E)-(3-methylphenyl)methyli...) Show SMILES Cc1cccc(C=NNC(=O)c2cc3CCc4ccccc4-c3s2)c1 Show InChI InChI=1S/C21H18N2OS/c1-14-5-4-6-15(11-14)13-22-23-21(24)19-12-17-10-9-16-7-2-3-8-18(16)20(17)25-19/h2-8,11-13H,9-10H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2S75DTS
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM66391 (MLS000326818 | N'-[(E)-(3-methylphenyl)methyli...) Show SMILES Cc1cccc(C=NNC(=O)c2cc3CCc4ccccc4-c3s2)c1 Show InChI InChI=1S/C21H18N2OS/c1-14-5-4-6-15(11-14)13-22-23-21(24)19-12-17-10-9-16-7-2-3-8-18(16)20(17)25-19/h2-8,11-13H,9-10H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2WW7G4W
					More data for this Ligand-Target Pair