Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50473389'   

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))	BDBM50473389 (CHEMBL33346) Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-16-12-17-18(10-7-11-19(17)24-2)22(16)14-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
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