Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50473391'   

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 1A (Homo sapiens (Human))	BDBM50473391 (CHEMBL98028) Show SMILES COc1ccc2c(Br)c(CCNC(C)=O)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C20H21BrN2O2/c1-14(24)22-11-10-18-20(21)17-9-8-16(25-2)12-19(17)23(18)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
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