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Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50458980'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50458980
PNG
(CHEMBL4210884)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(OC(=O)NC3CCCCC3)c2)c1
Show InChI InChI=1S/C28H39N3O5/c1-22(32)29-16-17-31(2)24-12-8-13-25(20-24)34-18-6-7-19-35-26-14-9-15-27(21-26)36-28(33)30-23-10-4-3-5-11-23/h8-9,12-15,20-21,23H,3-7,10-11,16-19H2,1-2H3,(H,29,32)(H,30,33)
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 54n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino "Carlo Bo"

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...

J Med Chem 61: 7902-7916 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00893
BindingDB Entry DOI: 10.7270/Q2GX4F6V
More data for this
Ligand-Target Pair