Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50092818'   

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))	BDBM50092818 (CHEMBL3586419) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C26H22FN3OS/c27-20-10-11-23-24(12-20)32-26(28-23)30-15-18-13-29(14-19(18)16-30)25(31)22-9-5-4-8-21(22)17-6-2-1-3-7-17/h1-12,18-19H,13-16H2/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	925	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human OX1 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair