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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50144289'   
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50144289
PNG
(4-[[8-(2-Chloro-benzyl)-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccc1Cl)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C30H31ClN2O2/c1-2-32-30(35)22-9-7-20(8-10-22)29(21-11-15-27(34)16-12-21)24-17-25-13-14-26(18-24)33(25)19-23-5-3-4-6-28(23)31/h3-12,15-16,25-26,34H,2,13-14,17-19H2,1H3,(H,32,35)
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Similars
Article
PubMed
 8.70n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards opioid receptor mu 1

Bioorg Med Chem Lett 14: 2113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.052
BindingDB Entry DOI: 10.7270/Q21J997Q
More data for this
Ligand-Target Pair