Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A/1B' and Ligand = 'BDBM50118433'   

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/1B (Homo sapiens (Human))	BDBM50118433 (2,2,2-Trifluoro-N-[2-(6-methoxy-7-methyl-indan-1-y...) Show SMILES COc1ccc2CCC(CCNC(=O)C(F)(F)F)c2c1C Show InChI InChI=1S/C15H18F3NO2/c1-9-12(21-2)6-5-10-3-4-11(13(9)10)7-8-19-14(20)15(16,17)18/h5-6,11H,3-4,7-8H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair