Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50112206'   

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 1B (Homo sapiens (Human))	BDBM50112206 (CHEMBL300195 | N-(2-(5-methoxy-4-nitro-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C13H15N3O4/c1-8(17)14-6-5-9-7-15-10-3-4-11(20-2)13(12(9)10)16(18)19/h3-4,7,15H,5-6H2,1-2H3,(H,14,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells				J Med Chem 45: 1853-9 (2002) BindingDB Entry DOI: 10.7270/Q2V69HX5
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