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Articleid 50034802

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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


(GUINEA PIG)
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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Article
0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50285003
PNG
(3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...)
Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1
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Article
0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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Article
1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50148071
PNG
((-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
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Article
24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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Article
46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DPDPE from delta receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50285003
PNG
(3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...)
Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1
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Article
49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DPDPE from delta receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50148071
PNG
((-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
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Article
61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50148071
PNG
((-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
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Article
105n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DPDPE from delta receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50285003
PNG
(3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...)
Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1
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Article
690n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%