Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50261023'   

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))	BDBM50261023 (CHEMBL4088212) Show SMILES CCN([C@@H](C)Cn1nnc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-c1ncccn1 |r| Show InChI InChI=1S/C23H23FN8O/c1-4-31(16(3)14-32-29-22(28-30-32)20-9-7-17(24)13-27-20)23(33)19-12-15(2)6-8-18(19)21-25-10-5-11-26-21/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp. Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...				Bioorg Med Chem 25: 5203-5215 (2017) Article DOI: 10.1016/j.bmc.2017.07.051 BindingDB Entry DOI: 10.7270/Q2D50QD4
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