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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 = 'BDBM50125642'   
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))		BDBM50125642
PNG
(CHEMBL275205 | Cyclopropyl-[4-(7-methoxy-1,2,3,4-t...)
Show SMILES COc1ccc2CCCC(N3CCN(CC3)C(=O)C3CC3)c2c1
Show InChI InChI=1S/C19H26N2O2/c1-23-16-8-7-14-3-2-4-18(17(14)13-16)20-9-11-21(12-10-20)19(22)15-5-6-15/h7-8,13,15,18H,2-6,9-12H2,1H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro receptor binding at MT2 (Melatonin) receptor.

Bioorg Med Chem Lett 13: 1199-202 (2003)


BindingDB Entry DOI: 10.7270/Q2C24VTB
More data for this
Ligand-Target Pair