Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50092816'   

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))	BDBM50092816 (CHEMBL3586415) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(C)cc2s1)C(=O)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C23H25N3O3S/c1-14-4-7-19-21(8-14)30-23(24-19)26-12-15-10-25(11-16(15)13-26)22(27)18-6-5-17(28-2)9-20(18)29-3/h4-9,15-16H,10-13H2,1-3H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac 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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