Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50233322'   

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))	BDBM50233322 (CHEMBL4090932) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2cc(Cl)ccc2s1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C23H21ClN6OS/c1-14-2-4-20(30-25-6-7-26-30)18(8-14)22(31)28-10-15-12-29(13-16(15)11-28)23-27-19-9-17(24)3-5-21(19)32-23/h2-9,15-16H,10-13H2,1H3/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	327	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 1 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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