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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 = 'BDBM50021258'   
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


(Rattus norvegicus (rat))		BDBM50021258
PNG
(4-(4-allyloxyphenyl)-2-(11,15-dimethoxy-3-methyl-1...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1[C@@](C)(O)CCc1ccc(OCC=C)cc1 |wU:25.32,wD:13.13,22.24,24.30,25.33,17.20,c:23,THB:9:8:22:16.5.6,15:16:22:8.11.10,21:22:16.5.6:8.11.10,(-2.56,-8.78,;-1.02,-8.75,;-.27,-7.4,;-1.07,-6.07,;-.32,-4.74,;1.22,-4.7,;1.96,-3.36,;3.5,-3.34,;4.25,-1.99,;5.58,-1.21,;2.69,-1.98,;2.76,-4.64,;3.53,-5.98,;4.32,-7.3,;2.74,-8.22,;1.27,-7.38,;2.01,-6.03,;5.84,-7.29,;6.45,-8.7,;5.51,-9.92,;5.44,-5.79,;4.67,-6.12,;4.29,-4.65,;5.82,-4.63,;6.6,-5.95,;8.14,-5.93,;8.13,-4.39,;8.13,-7.47,;9.67,-5.93,;10.45,-7.26,;11.99,-7.26,;12.75,-5.91,;14.29,-5.91,;15.07,-7.24,;16.6,-7.23,;17.37,-5.9,;18.91,-5.89,;19.68,-4.56,;14.3,-8.57,;12.76,-8.59,)|
Show InChI InChI=1S/C34H41NO5/c1-6-19-39-24-10-7-22(8-11-24)13-14-31(2,36)26-21-32-15-16-34(26,38-5)30-33(32)17-18-35(3)27(32)20-23-9-12-25(37-4)29(40-30)28(23)33/h6-12,15-16,26-27,30,36H,1,13-14,17-21H2,2-5H3/t26-,27?,30-,31+,32-,33?,34-/m1/s1
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PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of [3H]naltrexone binding to Opioid receptor mu 1 in rat brain homogenates.

J Med Chem 28: 1950-3 (1986)


BindingDB Entry DOI: 10.7270/Q2639Q9N
More data for this
Ligand-Target Pair