Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50347593'   

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))	BDBM50347593 (CHEMBL1802026) Show SMILES CCC(=O)NCCc1c(CC)nn2ccc3OCCc3c12 Show InChI InChI=1S/C16H21N3O2/c1-3-13-11(5-8-17-15(20)4-2)16-12-7-10-21-14(12)6-9-19(16)18-13/h6,9H,3-5,7-8,10H2,1-2H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair