Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50097378'   

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))	BDBM50097378 (CHEMBL3586416) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(OC)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C23H25N3O4S/c1-28-16-4-6-18(20(8-16)30-3)22(27)25-10-14-12-26(13-15(14)11-25)23-24-19-7-5-17(29-2)9-21(19)31-23/h4-9,14-15H,10-13H2,1-3H3/t14-,15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	875	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin 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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