Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50117899'   

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))	BDBM50117899 (CHEMBL3612604) Show SMILES CCC(=O)NCC1CCc2ccccc2N1C Show InChI InChI=1S/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117899 (CHEMBL3612604) Show SMILES CCC(=O)NCC1CCc2ccccc2N1C Show InChI InChI=1S/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair