Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50263661'   

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))	BDBM50263661 (CHEMBL518113 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES CCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1 Show InChI InChI=1S/C23H25NO3/c1-3-23(26)24-10-9-19-13-20(17-6-4-5-16(11-17)15-25)12-18-7-8-21(27-2)14-22(18)19/h4-8,11-14,25H,3,9-10,15H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
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