Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50092819'   

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))	BDBM50092819 (CHEMBL3586420) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C24H20FN3OS2/c25-17-7-8-20-22(10-17)31-24(26-20)28-13-15-11-27(12-16(15)14-28)23(29)19-5-2-1-4-18(19)21-6-3-9-30-21/h1-10,15-16H,11-14H2/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	267	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