Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50153422'   

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))	BDBM50153422 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H31NO2/c1-2-9-26(28)27-18-20-16-23(20)22-14-8-15-25-24(22)17-21(29-25)13-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,14-15,17,20,23H,2,6-7,9,12-13,16,18H2,1H3,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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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