Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50092815'   

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 receptor type 2 (Homo sapiens (Human))	BDBM50092815 (CHEMBL3586414) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(Cl)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C22H22ClN3O3S/c1-28-16-4-5-17(19(8-16)29-2)21(27)25-9-13-11-26(12-14(13)10-25)22-24-18-6-3-15(23)7-20(18)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate by LC-MS/MS analysis				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
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