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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'baldisserotto' and Initial = 'a'   
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
Nociceptin/mu opioid receptor


(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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0.160n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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0.160n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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0.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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1.75n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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5.93n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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7.49n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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10.8n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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11.8n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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16.1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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45n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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53.9n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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309n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Nociceptin/mu opioid receptor


(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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364n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu 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
Mu-opioid receptor


(Cavia porcellus)
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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n/an/a 0.120n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum myenteric plexus longitudinal muscle assessed as inhibition of electrically-stimul...


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
Mu-opioid receptor


(Cavia porcellus)
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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n/an/a 0.130n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum myenteric plexus longitudinal muscle assessed as inhibition of electrically-stimul...


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
Mu-opioid receptor


(Cavia porcellus)
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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n/an/a 1.21n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum myenteric plexus longitudinal muscle assessed as inhibition of electrically-stimul...


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
Delta-type opioid receptor


(MOUSE)
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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n/an/a 2.57n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
Delta-type opioid receptor


(MOUSE)
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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n/an/a 2.69n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
Mu-opioid receptor


(Cavia porcellus)
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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n/an/a 3.02n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig ileum myenteric plexus longitudinal muscle assessed as inhibition of electrically-stimul...


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
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50185156
PNG
(CHEMBL210439 | Hmb-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C
Show InChI InChI=1S/C28H42N4O7/c1-7-39-24(35)14-11-19(15-16(2)3)30-27(37)21(12-13-23(29)34)31-28(38)25(17(4)5)32-26(36)20-9-8-10-22(33)18(20)6/h8-11,14,16-17,19,21,25,33H,7,12-13,15H2,1-6H3,(H2,29,34)(H,30,37)(H,31,38)(H,32,36)/b14-11+/t19-,21+,25+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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n/an/a 26.9n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50185159
PNG
(CHEMBL208162 | Hmb-Phe-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C32H42N4O7/c1-5-43-29(39)17-14-23(18-20(2)3)34-31(41)25(15-16-28(33)38)35-32(42)26(19-22-10-7-6-8-11-22)36-30(40)24-12-9-13-27(37)21(24)4/h6-14,17,20,23,25-26,37H,5,15-16,18-19H2,1-4H3,(H2,33,38)(H,34,41)(H,35,42)(H,36,40)/b17-14+/t23-,25+,26+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50185155
PNG
(CHEMBL207774 | H-Phe-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C29H45N5O6/c1-6-40-25(36)15-12-21(16-18(2)3)32-28(38)23(13-14-24(31)35)33-29(39)26(19(4)5)34-27(37)22(30)17-20-10-8-7-9-11-20/h7-12,15,18-19,21-23,26H,6,13-14,16-17,30H2,1-5H3,(H2,31,35)(H,32,38)(H,33,39)(H,34,37)/b15-12+/t21-,22+,23+,26+/m1/s1
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n/an/a 42n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50370717
PNG
(EPOXOMYCIN | Epoxomicin)
Show SMILES CCC(C)C(NC(=O)C(C(C)CC)N(C)C(C)=O)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
Show InChI InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)
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n/an/a 47n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50185157
PNG
(CHEMBL210901 | benzyl (S)-4-methyl-1-((S)-4-methyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=CS(C)(=O)=O |w:33.34|
Show InChI InChI=1S/C28H45N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-14,19-21,23-25H,15-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50185158
PNG
(CHEMBL210091 | H-Tyr-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C29H45N5O7/c1-6-41-25(37)14-9-20(15-17(2)3)32-28(39)23(12-13-24(31)36)33-29(40)26(18(4)5)34-27(38)22(30)16-19-7-10-21(35)11-8-19/h7-11,14,17-18,20,22-23,26,35H,6,12-13,15-16,30H2,1-5H3,(H2,31,36)(H,32,39)(H,33,40)(H,34,38)/b14-9+/t20-,22+,23+,26+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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n/an/a 179n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
Delta-type opioid receptor


(MOUSE)
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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n/an/a 265n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50370717
PNG
(EPOXOMYCIN | Epoxomicin)
Show SMILES CCC(C)C(NC(=O)C(C(C)CC)N(C)C(C)=O)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)C1(C)CO1
Show InChI InChI=1S/C28H50N4O7/c1-11-16(5)21(30-27(38)23(17(6)12-2)32(10)19(8)34)25(36)31-22(18(7)33)26(37)29-20(13-15(3)4)24(35)28(9)14-39-28/h15-18,20-23,33H,11-14H2,1-10H3,(H,29,37)(H,30,38)(H,31,36)
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n/an/a 980n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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n/an/a 1.47E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
Delta-type opioid receptor


(MOUSE)
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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n/an/a 1.72E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50185159
PNG
(CHEMBL208162 | Hmb-Phe-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
Show InChI InChI=1S/C32H42N4O7/c1-5-43-29(39)17-14-23(18-20(2)3)34-31(41)25(15-16-28(33)38)35-32(42)26(19-22-10-7-6-8-11-22)36-30(40)24-12-9-13-27(37)21(24)4/h6-14,17,20,23,25-26,37H,5,15-16,18-19H2,1-4H3,(H2,33,38)(H,34,41)(H,35,42)(H,36,40)/b17-14+/t23-,25+,26+/m1/s1
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n/an/a 2.23E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50185157
PNG
(CHEMBL210901 | benzyl (S)-4-methyl-1-((S)-4-methyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=CS(C)(=O)=O |w:33.34|
Show InChI InChI=1S/C28H45N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-14,19-21,23-25H,15-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1
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n/an/a 2.43E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of trypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
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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n/an/a 2.66E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
Delta-type opioid receptor


(MOUSE)
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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n/an/a 2.89E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50185155
PNG
(CHEMBL207774 | H-Phe-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C29H45N5O6/c1-6-40-25(36)15-12-21(16-18(2)3)32-28(38)23(13-14-24(31)35)33-29(39)26(19(4)5)34-27(37)22(30)17-20-10-8-7-9-11-20/h7-12,15,18-19,21-23,26H,6,13-14,16-17,30H2,1-5H3,(H2,31,35)(H,32,38)(H,33,39)(H,34,37)/b15-12+/t21-,22+,23+,26+/m1/s1
PDB
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n/an/a 4.15E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50185158
PNG
(CHEMBL210091 | H-Tyr-Val-Gln-Leu-VE)
Show SMILES CCOC(=O)\C=C\[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C
Show InChI InChI=1S/C29H45N5O7/c1-6-41-25(37)14-9-20(15-17(2)3)32-28(39)23(12-13-24(31)36)33-29(40)26(18(4)5)34-27(38)22(30)16-19-7-10-21(35)11-8-19/h7-11,14,17-18,20,22-23,26,35H,6,12-13,15-16,30H2,1-5H3,(H2,31,36)(H,32,39)(H,33,40)(H,34,38)/b14-9+/t20-,22+,23+,26+/m1/s1
PDB
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PC sid
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Article
PubMed
n/an/a 4.32E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of proteasome


Bioorg Med Chem Lett 16: 3125-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.070
BindingDB Entry DOI: 10.7270/Q2TX3G5J
More data for this
Ligand-Target Pair
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