Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50343594'   

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))	BDBM50343594 (CHEMBL1774527 | N-{2-[7-(4-Methoxyphenyl)-1,6-dihy...) Show SMILES COc1ccc(cc1)C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21 |c:9| Show InChI InChI=1S/C22H23NO3/c1-14(24)23-11-9-18-20(15-3-6-17(25-2)7-4-15)13-16-5-8-21-19(22(16)18)10-12-26-21/h3-8H,9-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
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