Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50092809'   

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))	BDBM50092809 (CHEMBL3586413) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(Cl)cc2s1)C(=O)c1c(OC)cccc1OC |r| Show InChI InChI=1S/C22H22ClN3O3S/c1-28-17-4-3-5-18(29-2)20(17)21(27)25-9-13-11-26(12-14(13)10-25)22-24-16-7-6-15(23)8-19(16)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-orexin A from OX1 receptor (unknown origin) expressed in CHOK1 cells after 90 to 120 mins by scintillation counting analysis				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50092809 (CHEMBL3586413) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc2ccc(Cl)cc2s1)C(=O)c1c(OC)cccc1OC |r| Show InChI InChI=1S/C22H22ClN3O3S/c1-28-17-4-3-5-18(29-2)20(17)21(27)25-9-13-11-26(12-14(13)10-25)22-24-16-7-6-15(23)8-19(16)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to rat OX2 receptor				J Med Chem 58: 5620-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00742 BindingDB Entry DOI: 10.7270/Q2QR4ZWG
					More data for this Ligand-Target Pair