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Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50458982'   
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 1A


(Homo sapiens (Human))		BDBM50458982
PNG
(CHEMBL4211530)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C30H37N3O4/c1-24(34)31-19-20-33(2)27-15-11-16-28(23-27)36-21-9-4-3-8-18-32-30(35)37-29-17-10-14-26(22-29)25-12-6-5-7-13-25/h5-7,10-17,22-23H,3-4,8-9,18-21H2,1-2H3,(H,31,34)(H,32,35)
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 21n/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 MT1 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