Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50233296'   

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))	BDBM50233296 (CHEMBL4102998) Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2(C)C1)c1nc2cc(Cl)ccc2o1)-n1nccn1 Show InChI InChI=1S/C24H23ClN6O2/c1-15-3-5-20(31-26-7-8-27-31)18(9-15)22(32)29-11-16-12-30(14-24(16,2)13-29)23-28-19-10-17(25)4-6-21(19)33-23/h3-10,16H,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	736	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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