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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50290869   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(MOUSE)
BDBM50290869
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=S)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3OS/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-21-17(4)23(24(30)28(6-2)7-3)26-22(21)14-19(25)16-27/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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Article
1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
BindingDB Entry DOI: 10.7270/Q26110VD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50290869
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=S)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3OS/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-21-17(4)23(24(30)28(6-2)7-3)26-22(21)14-19(25)16-27/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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Article
42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
BindingDB Entry DOI: 10.7270/Q26110VD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50290869
PNG
((4aR,8aR)-7-Ethyl-4a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=S)c1[nH]c2C[C@H]3CN(CC)CC[C@@]3(Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3OS/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-21-17(4)23(24(30)28(6-2)7-3)26-22(21)14-19(25)16-27/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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Article
449n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates


Bioorg Med Chem Lett 7: 2967-2972 (1997)


Article DOI: 10.1016/S0960-894X(97)10119-6
BindingDB Entry DOI: 10.7270/Q26110VD
More data for this
Ligand-Target Pair