Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50153437'   

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))	BDBM50153437 (CHEMBL363441 | Cyclopropanecarboxylic acid {(S)-1-...) Show SMILES O=C(N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C26H30N2O2/c29-26(20-13-14-20)27-21-15-16-28(18-21)24-11-6-12-25-23(24)17-22(30-25)10-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,11-12,17,20-21H,4-5,9-10,13-16,18H2,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	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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