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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'cardillo' and Initial = 'g'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing [3H]DAMGO in rat brain membranes.


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095154
PNG
((S)-2-[(S)-2-(2-{1-[(R)-2-Amino-3-((S)-4-hydroxy-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-9-25(41)20-32(43)39-31(19-24-21-38-29-11-5-4-10-27(24)29)34(45)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-8,10-15,21,25,28,30-31,38,42H,6,9,16-20,36H2,(H2,37,44)(H,39,43)(H,40,45)/t25-,28+,30+,31+/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Concentration required for inhibition of [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing [3H]DAMGO in rat brain membranes.


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095151
PNG
((S)-2-[(S)-2-(2-{1-[(S)-2-Amino-3-((S)-4-hydroxy-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-9-25(41)20-32(43)39-31(19-24-21-38-29-11-5-4-10-27(24)29)34(45)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-8,10-15,21,25,28,30-31,38,42H,6,9,16-20,36H2,(H2,37,44)(H,39,43)(H,40,45)/t25-,28-,30-,31-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing [3H]DAMGO in rat brain membranes.


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095151
PNG
((S)-2-[(S)-2-(2-{1-[(S)-2-Amino-3-((S)-4-hydroxy-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-9-25(41)20-32(43)39-31(19-24-21-38-29-11-5-4-10-27(24)29)34(45)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-8,10-15,21,25,28,30-31,38,42H,6,9,16-20,36H2,(H2,37,44)(H,39,43)(H,40,45)/t25-,28-,30-,31-/m0/s1
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10n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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11n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154301
PNG
(CHEMBL187369 | [(5S,9S,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31+/m1/s1
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30n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095150
PNG
((R)-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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30+/m0/s1
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54n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095154
PNG
((S)-2-[(S)-2-(2-{1-[(R)-2-Amino-3-((S)-4-hydroxy-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-9-25(41)20-32(43)39-31(19-24-21-38-29-11-5-4-10-27(24)29)34(45)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-8,10-15,21,25,28,30-31,38,42H,6,9,16-20,36H2,(H2,37,44)(H,39,43)(H,40,45)/t25-,28+,30+,31+/m1/s1
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67n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing [3H]DAMGO in rat brain membranes.


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50114009
PNG
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrroli...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-11-31(41)34(45)39-25(19-24-21-38-29-10-5-4-9-27(24)29)20-32(43)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-10,12-15,21,25,28,30-31,38,42H,6,11,16-20,36H2,(H2,37,44)(H,39,45)(H,40,43)/t25-,28-,30-,31-/m0/s1
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73n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing [3H]DAMGO in rat brain membranes.


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50114010
PNG
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrroli...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)Cc1ccccc1
Show InChI InChI=1S/C35H40N6O5/c36-28(18-23-12-14-26(42)15-13-23)35(46)41-16-6-11-31(41)34(45)40-30(19-24-21-38-29-10-5-4-9-27(24)29)33(44)39-25(20-32(37)43)17-22-7-2-1-3-8-22/h1-5,7-10,12-15,21,25,28,30-31,38,42H,6,11,16-20,36H2,(H2,37,43)(H,39,44)(H,40,45)/t25-,28-,30-,31-/m0/s1
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79n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 by displacing [3H]DAMGO in rat brain membranes.


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095152
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](Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)c1ccccc1
Show InChI InChI=1S/C34H38N6O5/c35-26(17-21-12-14-24(41)15-13-21)34(45)40-16-6-11-30(40)33(44)39-29(18-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(19-31(36)42)22-7-2-1-3-8-22/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28?,29-,30-/m0/s1
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908n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095157
PNG
(1-[(R)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-23(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-28(25-20-37-27-10-5-4-9-24(25)27)19-31(42)38-29(32(36)43)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,43)(H,38,42)(H,39,44)/t26-,28+,29-,30-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095156
PNG
((S)-1-[3-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES NC(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1ccc(O)cc1
Show InChI InChI=1S/C34H38N6O5/c35-26(22-12-14-24(41)15-13-22)19-31(42)40-16-6-11-30(40)34(45)39-29(18-23-20-37-27-10-5-4-9-25(23)27)33(44)38-28(32(36)43)17-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,43)(H,38,44)(H,39,45)/t26?,28-,29-,30-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154297
PNG
(CHEMBL364853 | [(5S,9R,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30+,31+/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154295
PNG
(CHEMBL359792 | [(5S,9S,12S,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30-,31-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154298
PNG
(CHEMBL364764 | [(5R,9S,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30-,31+/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154296
PNG
(CHEMBL434545 | [(5R,9R,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31+/m0/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154303
PNG
(CHEMBL365002 | [(5R,9R,12R,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30-,31-/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154308
PNG
(CHEMBL362739 | [(5R,9S,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30+,31+/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154306
PNG
(CHEMBL365609 | [(5R,9R,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30-,31+/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154305
PNG
(CHEMBL365889 | [(5R,9S,12R,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30-,31-/m1/s1
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2.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154299
PNG
(CHEMBL363714 | [(5S,9S,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30-,31+/m0/s1
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2.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154304
PNG
(CHEMBL359791 | [(5S,9R,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30-,31+/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154302
PNG
(CHEMBL365667 | [(5S,9R,12S,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30-,31-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154300
PNG
(CHEMBL365003 | [(5S,9S,12R,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31-/m1/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154309
PNG
(CHEMBL189285 | [(5R,9R,12S,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31-/m0/s1
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2.30E+5n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095154
PNG
((S)-2-[(S)-2-(2-{1-[(R)-2-Amino-3-((S)-4-hydroxy-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-9-25(41)20-32(43)39-31(19-24-21-38-29-11-5-4-10-27(24)29)34(45)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-8,10-15,21,25,28,30-31,38,42H,6,9,16-20,36H2,(H2,37,44)(H,39,43)(H,40,45)/t25-,28+,30+,31+/m1/s1
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Concentration required for inhibition of [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095151
PNG
((S)-2-[(S)-2-(2-{1-[(S)-2-Amino-3-((S)-4-hydroxy-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-9-25(41)20-32(43)39-31(19-24-21-38-29-11-5-4-10-27(24)29)34(45)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-8,10-15,21,25,28,30-31,38,42H,6,9,16-20,36H2,(H2,37,44)(H,39,43)(H,40,45)/t25-,28-,30-,31-/m0/s1
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Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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Universit£ di Bologna

Curated by ChEMBL


Assay Description
Concentration required for inhibition of [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50222356
PNG
(3-(((R)-6-(4-aminophenyl)-1-((S)-1-(4-methoxypheny...)
Show SMILES CCCN(C(=O)CC(O)=O)C1=C(C)C[C@@H](N([C@@H](C)c2ccc(OC)cc2)C1=O)c1ccc(N)cc1 |c:10|
Show InChI InChI=1S/C27H33N3O5/c1-5-14-29(24(31)16-25(32)33)26-17(2)15-23(20-6-10-21(28)11-7-20)30(27(26)34)18(3)19-8-12-22(35-4)13-9-19/h6-13,18,23H,5,14-16,28H2,1-4H3,(H,32,33)/t18-,23+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1-mediated K562 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50204825
PNG
(AcDRGDS | CHEMBL241297)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C21H34N8O12/c1-9(31)26-11(5-15(33)34)18(38)28-10(3-2-4-24-21(22)23)17(37)25-7-14(32)27-12(6-16(35)36)19(39)29-13(8-30)20(40)41/h10-13,30H,2-8H2,1H3,(H,25,37)(H,26,31)(H,27,32)(H,28,38)(H,29,39)(H,33,34)(H,35,36)(H,40,41)(H4,22,23,24)/t10-,11-,12-,13-/m0/s1
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Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50114009
PNG
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrroli...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C35H40N6O5/c36-28(17-23-12-14-26(42)15-13-23)35(46)41-16-6-11-31(41)34(45)39-25(19-24-21-38-29-10-5-4-9-27(24)29)20-32(43)40-30(33(37)44)18-22-7-2-1-3-8-22/h1-5,7-10,12-15,21,25,28,30-31,38,42H,6,11,16-20,36H2,(H2,37,44)(H,39,45)(H,40,43)/t25-,28-,30-,31-/m0/s1
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Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes


J Med Chem 45: 2571-8 (2002)


BindingDB Entry DOI: 10.7270/Q20R9Q43
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50378570
PNG
(CHEMBL572085)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C22H31N7O6/c23-22(24)25-8-4-7-15-20(34)26-12-14(9-13-5-2-1-3-6-13)27-21(35)16(10-19(32)33)29-18(31)11-17(30)28-15/h1-3,5-6,14-16H,4,7-12H2,(H,26,34)(H,27,35)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,25)/t14-,15+,16+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of alpha5beta1 integrin-mediated cell adhesion in human K562 cells on fibronectin coated plate after 30 mins


J Med Chem 53: 106-18 (2010)


Article DOI: 10.1021/jm9013532
BindingDB Entry DOI: 10.7270/Q2G161S9
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50222360
PNG
(Ac-Asp-Arg-Leu-Asp-Ser-OH | CHEMBL238484)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C25H42N8O12/c1-11(2)7-14(21(41)32-16(9-19(38)39)23(43)33-17(10-34)24(44)45)31-20(40)13(5-4-6-28-25(26)27)30-22(42)15(8-18(36)37)29-12(3)35/h11,13-17,34H,4-10H2,1-3H3,(H,29,35)(H,30,42)(H,31,40)(H,32,41)(H,33,43)(H,36,37)(H,38,39)(H,44,45)(H4,26,27,28)/t13-,14-,15-,16-,17-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3-mediated SK-MEL-24 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50204820
PNG
((S)-N-benzyl-3-{[(R)-1-(4-guanidino-butyryl)-pyrro...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C21H30N6O5/c22-21(23)24-10-4-9-17(28)27-11-5-8-16(27)20(32)26-15(12-18(29)30)19(31)25-13-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,25,31)(H,26,32)(H,29,30)(H4,22,23,24)/t15-,16+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50204824
PNG
((S)-4-benzylcarbamoyl-4-{[(R)-1-(3-guanidino-propi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C21H30N6O5/c22-21(23)24-11-10-17(28)27-12-4-7-16(27)20(32)26-15(8-9-18(29)30)19(31)25-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,25,31)(H,26,32)(H,29,30)(H4,22,23,24)/t15-,16+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Universit£ degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry


Bioorg Med Chem Lett 17: 2329-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.073
BindingDB Entry DOI: 10.7270/Q2NK3G8W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50222359
PNG
(2-{[1-(4-aminobutyl)-4-methyl-2-oxo-6-phenyl-1,2,5...)
Show SMILES CCCN(C(=O)CC(O)=O)C1=C(C)CC(N(CCCCN)C1=O)c1ccccc1 |w:14.23,c:10|
Show InChI InChI=1S/C22H31N3O4/c1-3-12-25(19(26)15-20(27)28)21-16(2)14-18(17-9-5-4-6-10-17)24(22(21)29)13-8-7-11-23/h4-6,9-10,18H,3,7-8,11-15,23H2,1-2H3,(H,27,28)
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n/an/a 38n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3-mediated SK-MEL-24 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154301
PNG
(CHEMBL187369 | [(5S,9S,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50222359
PNG
(2-{[1-(4-aminobutyl)-4-methyl-2-oxo-6-phenyl-1,2,5...)
Show SMILES CCCN(C(=O)CC(O)=O)C1=C(C)CC(N(CCCCN)C1=O)c1ccccc1 |w:14.23,c:10|
Show InChI InChI=1S/C22H31N3O4/c1-3-12-25(19(26)15-20(27)28)21-16(2)14-18(17-9-5-4-6-10-17)24(22(21)29)13-8-7-11-23/h4-6,9-10,18H,3,7-8,11-15,23H2,1-2H3,(H,27,28)
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n/an/a 43n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1-mediated K562 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50095155
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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Concentration required for inhibition of [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes


Bioorg Med Chem Lett 10: 2755-8 (2000)


BindingDB Entry DOI: 10.7270/Q27081ZS
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50222349
PNG
(2-{[(6S)-1-[(1S)-1-(4-aminophenyl)ethyl]-4-methyl-...)
Show SMILES CCCN(C(=O)CC(O)=O)C1=C(C)C[C@H](N([C@@H](C)c2ccc(N)cc2)C1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C26H31N3O4/c1-4-14-28(23(30)16-24(31)32)25-17(2)15-22(20-8-6-5-7-9-20)29(26(25)33)18(3)19-10-12-21(27)13-11-19/h5-13,18,22H,4,14-16,27H2,1-3H3,(H,31,32)/t18-,22-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1-mediated K562 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50222349
PNG
(2-{[(6S)-1-[(1S)-1-(4-aminophenyl)ethyl]-4-methyl-...)
Show SMILES CCCN(C(=O)CC(O)=O)C1=C(C)C[C@H](N([C@@H](C)c2ccc(N)cc2)C1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C26H31N3O4/c1-4-14-28(23(30)16-24(31)32)25-17(2)15-22(20-8-6-5-7-9-20)29(26(25)33)18(3)19-10-12-21(27)13-11-19/h5-13,18,22H,4,14-16,27H2,1-3H3,(H,31,32)/t18-,22-/m0/s1
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Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3-mediated SK-MEL-24 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
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