Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50263730'   

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))	BDBM50263730 (CHEMBL4068887) Show SMILES CCC(=O)NC[C@@H]1CN(C)c2ccccc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O/c1-3-19(23)21-13-16-14-22(2)18-12-8-7-11-17(18)20(16)15-9-5-4-6-10-15/h4-12,16,20H,3,13-14H2,1-2H3,(H,21,23)/t16-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
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