Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50441368'   

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))	BDBM50441368 (CHEMBL2435396) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3[nH]nnc3-c3ccccc3)C2=O)CC1 Show InChI InChI=1S/C24H29N7O/c1-17-15-18(2)26-23(25-17)30-13-10-24(11-14-30)9-6-12-31(22(24)32)16-20-21(28-29-27-20)19-7-4-3-5-8-19/h3-5,7-8,15H,6,9-14,16H2,1-2H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
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