Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50260984'   

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))	BDBM50260984 (CHEMBL4060868) Show SMILES CCN([C@@H](C)Cn1cc(nn1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H23FN8O/c1-4-30(22(32)18-11-15(2)5-8-21(18)31-25-9-10-26-31)16(3)13-29-14-20(27-28-29)19-7-6-17(23)12-24-19/h5-12,14,16H,4,13H2,1-3H3/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	23	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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