Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50120890'   

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))	BDBM50120890 (CHEMBL3622325) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(Cl)c(C)n1 |r| Show InChI InChI=1S/C21H24ClN7O/c1-14-4-5-19(29-24-7-8-25-29)17(12-14)20(30)28-11-10-27(9-6-15(28)2)21-23-13-18(22)16(3)26-21/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay				Bioorg Med Chem Lett 25: 4992-9 (2015) Article DOI: 10.1016/j.bmcl.2014.12.081 BindingDB Entry DOI: 10.7270/Q2N58P5S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50120890 (CHEMBL3622325) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(Cl)c(C)n1 |r| Show InChI InChI=1S/C21H24ClN7O/c1-14-4-5-19(29-24-7-8-25-29)17(12-14)20(30)28-11-10-27(9-6-15(28)2)21-23-13-18(22)16(3)26-21/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...				Bioorg Med Chem Lett 25: 4992-9 (2015) Article DOI: 10.1016/j.bmcl.2014.12.081 BindingDB Entry DOI: 10.7270/Q2N58P5S
					More data for this Ligand-Target Pair