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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50266453'   
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))		BDBM50266453
PNG
(CHEMBL513933 | N-(2-{5-Methoxy-2-[(6-nitro-2,3-dih...)
Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(cc34)[N+]([O-])=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C22H24N4O4/c1-14(27)23-9-7-18-19-12-17(30-2)5-6-20(19)24-21(18)13-25-10-8-15-3-4-16(26(28)29)11-22(15)25/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,23,27)
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Similars
Article
PubMed
 26n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells

J Med Chem 52: 826-33 (2009)


Article DOI: 10.1021/jm800974d
BindingDB Entry DOI: 10.7270/Q21J99N3
More data for this
Ligand-Target Pair