Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50153421'   

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))	BDBM50153421 (CHEMBL188016 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H28N2O2/c1-18(27)25-20-14-15-26(17-20)23-12-7-13-24-22(23)16-21(28-24)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,16,20H,5-6,10-11,14-15,17H2,1H3,(H,25,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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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