Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50028044'   

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))	BDBM50028044 (CHEMBL3338851) Show SMILES COc1ccc(CNC(=O)c2cc(nnc2-c2ccccc2)-c2cncc(C)c2)nc1OC Show InChI InChI=1S/C25H23N5O3/c1-16-11-18(14-26-13-16)21-12-20(23(30-29-21)17-7-5-4-6-8-17)24(31)27-15-19-9-10-22(32-2)25(28-19)33-3/h4-14H,15H2,1-3H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...				Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50028044 (CHEMBL3338851) Show SMILES COc1ccc(CNC(=O)c2cc(nnc2-c2ccccc2)-c2cncc(C)c2)nc1OC Show InChI InChI=1S/C25H23N5O3/c1-16-11-18(14-26-13-16)21-12-20(23(30-29-21)17-7-5-4-6-8-17)24(31)27-15-19-9-10-22(32-2)25(28-19)33-3/h4-14H,15H2,1-3H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4884-90 (2014) Article DOI: 10.1016/j.bmcl.2014.08.041 BindingDB Entry DOI: 10.7270/Q2GX4D4J
					More data for this Ligand-Target Pair