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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50026838   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50266025
PNG
((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272171
PNG
(CHEMBL501202 | H-Dmt-Tic-Asp-NH-Ph)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-18-12-23(36)13-19(2)24(18)15-25(32)31(41)35-17-21-9-7-6-8-20(21)14-27(35)30(40)34-26(16-28(37)38)29(39)33-22-10-4-3-5-11-22/h3-13,25-27,36H,14-17,32H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26-,27-/m0/s1
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0.0360n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272081
PNG
(2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propi...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26-/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272230
PNG
(CHEMBL450566 | H-Dmt-Tic-Asp-NH-Bzl)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-12-24(37)13-20(2)25(19)15-26(33)32(42)36-18-23-11-7-6-10-22(23)14-28(36)31(41)35-27(16-29(38)39)30(40)34-17-21-8-4-3-5-9-21/h3-13,26-28,37H,14-18,33H2,1-2H3,(H,34,40)(H,35,41)(H,38,39)/t26-,27-,28-/m0/s1
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0.0540n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272224
PNG
(CHEMBL498799 | H-Dmt-Tic-D-Asp-NH-Ph)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-18-12-23(36)13-19(2)24(18)15-25(32)31(41)35-17-21-9-7-6-8-20(21)14-27(35)30(40)34-26(16-28(37)38)29(39)33-22-10-4-3-5-11-22/h3-13,25-27,36H,14-17,32H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26+,27-/m0/s1
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0.0580n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272227
PNG
(CHEMBL450263 | H-Dmt-Tic-NH-(S)CH(CH2-COOH)-Bid(N1...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C32H35N5O5/c1-18-12-22(38)13-19(2)23(18)15-24(33)32(42)37-17-21-9-5-4-8-20(21)14-28(37)31(41)35-26(16-29(39)40)30-34-25-10-6-7-11-27(25)36(30)3/h4-13,24,26,28,38H,14-17,33H2,1-3H3,(H,35,41)(H,39,40)/t24-,26-,28-/m0/s1
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0.0590n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272229
PNG
(CHEMBL444197 | H-Dmt-Tic-NH-(R)CH(CH2-COOH)-Bid)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26+,27-/m0/s1
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0.0670n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272228
PNG
(CHEMBL499099 | H-Dmt-Tic-NH-(R)CH(CH2-COOH)-Bid(N1...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CC(O)=O)c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C32H35N5O5/c1-18-12-22(38)13-19(2)23(18)15-24(33)32(42)37-17-21-9-5-4-8-20(21)14-28(37)31(41)35-26(16-29(39)40)30-34-25-10-6-7-11-27(25)36(30)3/h4-13,24,26,28,38H,14-17,33H2,1-3H3,(H,35,41)(H,39,40)/t24-,26+,28-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272226
PNG
(CHEMBL502302 | H-Dmt-Tic-D-Asp-N(Me)-Ph)
Show SMILES CN(C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-13-24(37)14-20(2)25(19)16-26(33)31(41)36-18-22-10-8-7-9-21(22)15-28(36)30(40)34-27(17-29(38)39)32(42)35(3)23-11-5-4-6-12-23/h4-14,26-28,37H,15-18,33H2,1-3H3,(H,34,40)(H,38,39)/t26-,27+,28-/m0/s1
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0.0840n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272170
PNG
(CHEMBL500937 | H-Dmt-Tic-Gly-N(Me)-Ph)
Show SMILES CN(C(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-13-24(35)14-20(2)25(19)16-26(31)30(38)34-18-22-10-8-7-9-21(22)15-27(34)29(37)32-17-28(36)33(3)23-11-5-4-6-12-23/h4-14,26-27,35H,15-18,31H2,1-3H3,(H,32,37)/t26-,27-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272225
PNG
(CHEMBL448360 | H-Dmt-Tic-Asp-N(Me)-Ph)
Show SMILES CN(C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-13-24(37)14-20(2)25(19)16-26(33)31(41)36-18-22-10-8-7-9-21(22)15-28(36)30(40)34-27(17-29(38)39)32(42)35(3)23-11-5-4-6-12-23/h4-14,26-28,37H,15-18,33H2,1-3H3,(H,34,40)(H,38,39)/t26-,27-,28-/m0/s1
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0.186n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50272169
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26-,27-/m0/s1
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0.443n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


J Med Chem 51: 5109-17 (2008)


Article DOI: 10.1021/jm800587e
BindingDB Entry DOI: 10.7270/Q2DB81NR
More data for this
Ligand-Target Pair