Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50086007'   

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))	BDBM50086007 (CHEMBL9917 | Cyclobutanecarboxylic acid [2-(11-met...) Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)C3CCC3)c2c1 Show InChI InChI=1S/C25H28N2O2/c1-29-19-11-12-23-22(16-19)21(13-14-26-25(28)18-7-4-8-18)24-20-10-3-2-6-17(20)9-5-15-27(23)24/h2-3,6,10-12,16,18H,4-5,7-9,13-15H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	759	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...				J Med Chem 43: 1050-61 (2000) BindingDB Entry DOI: 10.7270/Q2VQ33DC
					More data for this Ligand-Target Pair