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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50458977'   
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))		BDBM50458977
PNG
(CHEMBL4215980)
Show SMILES CCC(=O)NCCN(C)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C31H39N3O4/c1-3-30(35)32-20-21-34(2)27-16-12-17-28(24-27)37-22-10-5-4-9-19-33-31(36)38-29-18-11-15-26(23-29)25-13-7-6-8-14-25/h6-8,11-18,23-24H,3-5,9-10,19-22H2,1-2H3,(H,32,35)(H,33,36)
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 16n/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