Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50295870'   

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
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50295870 (CHEMBL563847 | N-{2-(5-Methoxy-2-({[methyl[4-(trif...) Show SMILES COc1ccc2[nH]c(CN(C)c3ccc(cc3)C(F)(F)F)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24F3N3O2/c1-14(29)26-11-10-18-19-12-17(30-3)8-9-20(19)27-21(18)13-28(2)16-6-4-15(5-7-16)22(23,24)25/h4-9,12,27H,10-11,13H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in CHO cells by gamma counting				Bioorg Med Chem 17: 4583-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.068 BindingDB Entry DOI: 10.7270/Q29W0FHG
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