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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50032301   
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))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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8.23n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326889
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28-/m0/s1
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19n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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30n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326885
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27-,28-,29-/m0/s1
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58n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326888
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26+,27+,28+/m1/s1
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63n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326883
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1
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100n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50166066
PNG
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
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135n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326884
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27+,28+,29+/m1/s1
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293n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326890
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27+,28+,29+/m1/s1
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510n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326885
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27-,28-,29-/m0/s1
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990n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326889
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326887
PNG
((R)-1-((S)-2-(2-((S)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23-,24-,25+/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326883
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1
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4.80E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326887
PNG
((R)-1-((S)-2-(2-((S)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23-,24-,25+/m0/s1
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6.10E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326890
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27+,28+,29+/m1/s1
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6.30E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326888
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26+,27+,28+/m1/s1
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7.10E+3n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326884
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27+,28+,29+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50326886
PNG
((R)-1-((S)-2-(2-((R)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23+,24+,25-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326888
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26+,27+,28+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326889
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326885
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27-,28-,29-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50326888
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26+,27+,28+/m1/s1
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n/an/a 390n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326884
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27+,28+,29+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50326889
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C31H37N5O6S/c32-26(17-23-11-13-24(37)14-12-23)31(40)36-16-15-25(20-36)43(41,42)35-28(19-22-9-5-2-6-10-22)30(39)34-27(29(33)38)18-21-7-3-1-4-8-21/h1-14,25-28,35,37H,15-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28-/m0/s1
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n/an/a 530n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326883
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50326883
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326887
PNG
((R)-1-((S)-2-(2-((S)-1-((S)-2-amino-3-(4-hydroxyph...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23-,24-,25+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50326885
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27-,28-,29-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50326884
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(2...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-27(18-24-13-15-26(39)16-14-24)33(43)38-17-7-12-25(38)21-30(40)36-29(20-23-10-5-2-6-11-23)32(42)37-28(31(35)41)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,39H,7,12,17-21,34H2,(H2,35,41)(H,36,40)(H,37,42)/t25-,27+,28+,29+/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326890
PNG
((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27+,28+,29+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



"Sapienza" Università di Roma

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Eur J Med Chem 45: 4594-600 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.022
BindingDB Entry DOI: 10.7270/Q2KK9C0Q
More data for this
Ligand-Target Pair