Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50155721'   

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))	BDBM50155721 (1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1...) Show SMILES COc1cc2CCN(C=O)C(CC(c3ccccc3)c3ccccc3)c2cc1OC Show InChI InChI=1S/C26H27NO3/c1-29-25-15-21-13-14-27(18-28)24(23(21)17-26(25)30-2)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,17-18,22,24H,13-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
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