Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50233306'   

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))	BDBM50233306 (CHEMBL4093272) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccccc2n1C)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C24H25N7O/c1-16-7-8-21(31-25-9-10-26-31)19(11-16)23(32)29-12-17-14-30(15-18(17)13-29)24-27-20-5-3-4-6-22(20)28(24)2/h3-11,17-18H,12-15H2,1-2H3/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	775	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...				Bioorg Med Chem Lett 27: 1458-1462 (2017) Article DOI: 10.1016/j.bmcl.2017.01.075 BindingDB Entry DOI: 10.7270/Q2RR21HX
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