Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50419033'   

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))	BDBM50419033 (CHEMBL1813319) Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1 Show InChI InChI=1S/C26H38N4O4/c1-21(31)27-13-15-29(3)23-9-7-11-25(19-23)33-17-5-6-18-34-26-12-8-10-24(20-26)30(4)16-14-28-22(2)32/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,27,31)(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane				Bioorg Med Chem 19: 4910-6 (2011) Article DOI: 10.1016/j.bmc.2011.06.063 BindingDB Entry DOI: 10.7270/Q26T0NW8
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