Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50153428'   

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))	BDBM50153428 (1-Ethyl-3-{(1R,2R)-2-[2-(4-phenyl-butyl)-benzofura...) Show SMILES CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H30N2O2/c1-2-26-25(28)27-17-19-15-22(19)21-13-8-14-24-23(21)16-20(29-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,16,19,22H,2,6-7,11-12,15,17H2,1H3,(H2,26,27,28)/t19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
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