Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50125756'   

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))	BDBM50125756 (CHEMBL14514 | N-[2-(7-{2-[8-(2-Acetylamino-ethyl)-...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H32N2O4/c1-21(33)31-15-13-25-7-3-5-23-9-11-27(19-29(23)25)35-17-18-36-28-12-10-24-6-4-8-26(30(24)20-28)14-16-32-22(2)34/h3-12,19-20H,13-18H2,1-2H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
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