Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50419041'   

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))	BDBM50419041 (CHEMBL1813327) Show SMILES COc1cccc(c1)N(CCNC(C)=O)C(=O)CCCCC(=O)N(CCNC(C)=O)c1cccc(OC)c1 Show InChI InChI=1S/C28H38N4O6/c1-21(33)29-15-17-31(23-9-7-11-25(19-23)37-3)27(35)13-5-6-14-28(36)32(18-16-30-22(2)34)24-10-8-12-26(20-24)38-4/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	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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