Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50263759'   

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))	BDBM50263759 (CHEMBL489170 | N-[2-(3-(3-Acetylaminophenyl)-7-met...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C23H24N2O3/c1-15(26)24-10-9-19-12-20(11-18-7-8-22(28-3)14-23(18)19)17-5-4-6-21(13-17)25-16(2)27/h4-8,11-14H,9-10H2,1-3H3,(H,24,26)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
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