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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 = 'BDBM50125636'   
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))		BDBM50125636
PNG
(1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-propan...)
Show SMILES CCC(=O)N1CCN(CC1)C1CCc2ccc(OC)cc12
Show InChI InChI=1S/C17H24N2O2/c1-3-17(20)19-10-8-18(9-11-19)16-7-5-13-4-6-14(21-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



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