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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'lazzari' and Initial = 'i'   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207195
PNG
((S)-N-((S)-5-acetamido-5-(1H-benzo[d]imidazol-2-yl...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)37-15-9-8-14-31(38-23(3)42)33-39-29-12-6-7-13-30(29)40-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,44)(H,38,42)(H,39,40)/t28-,31-,32-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207188
PNG
((S)-N-((S)-5-acetamido-6-(benzylamino)-6-oxohexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H45N5O5/c1-23-17-29(43)18-24(2)30(23)20-31(37)36(46)41-22-28-14-8-7-13-27(28)19-33(41)35(45)38-16-10-9-15-32(40-25(3)42)34(44)39-21-26-11-5-4-6-12-26/h4-8,11-14,17-18,31-33,43H,9-10,15-16,19-22,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,42)/t31-,32-,33-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207196
PNG
((S)-N-((S)-5-acetamido-6-oxo-6-(phenylamino)hexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H43N5O5/c1-22-17-28(42)18-23(2)29(22)20-30(36)35(45)40-21-26-12-8-7-11-25(26)19-32(40)34(44)37-16-10-9-15-31(38-24(3)41)33(43)39-27-13-5-4-6-14-27/h4-8,11-14,17-18,30-32,42H,9-10,15-16,19-21,36H2,1-3H3,(H,37,44)(H,38,41)(H,39,43)/t30-,31-,32-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50181392
PNG
((R)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-...)
Show SMILES O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207190
PNG
(CHEMBL396423 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)43-20-12-11-19-36(38(48)44-32-17-7-4-8-18-32)45-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,49)(H,44,48)(H,45,51)/t35-,36-,37-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207194
PNG
(CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.562n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant mu-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207192
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)NCCCC[C@H](N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-30(36)34(43)39-21-26-13-7-6-12-25(26)18-31(39)33(42)37-15-9-8-14-29(35)32(41)38-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418594
PNG
(CHEMBL1783826)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
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0.724n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207189
PNG
(CHEMBL438681 | benzyl (S)-5-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)43-19-11-10-18-36(38-44-34-16-8-9-17-35(34)45-38)46-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,49)(H,44,45)(H,46,51)/t33-,36-,37-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207193
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)NCCCC[C@H](N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C33H41N5O4/c1-21-16-26(39)17-22(2)27(21)19-29(35)33(42)38-20-24-11-7-6-10-23(24)18-30(38)32(41)36-15-9-8-14-28(34)31(40)37-25-12-4-3-5-13-25/h3-7,10-13,16-17,28-30,39H,8-9,14-15,18-20,34-35H2,1-2H3,(H,36,41)(H,37,40)/t28-,29-,30-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207195
PNG
((S)-N-((S)-5-acetamido-5-(1H-benzo[d]imidazol-2-yl...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)37-15-9-8-14-31(38-23(3)42)33-39-29-12-6-7-13-30(29)40-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,44)(H,38,42)(H,39,40)/t28-,31-,32-/m0/s1
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0.990n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207192
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)NCCCC[C@H](N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-30(36)34(43)39-21-26-13-7-6-12-25(26)18-31(39)33(42)37-15-9-8-14-29(35)32(41)38-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1
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1n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207191
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)NCCCC[C@H](N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-27(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)36-14-8-7-11-26(34)31-37-28-12-5-6-13-29(28)38-31/h3-6,9-10,12-13,15-16,26-27,30,40H,7-8,11,14,17-19,34-35H2,1-2H3,(H,36,41)(H,37,38)/t26-,27-,30-/m0/s1
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1.02n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207193
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)NCCCC[C@H](N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C33H41N5O4/c1-21-16-26(39)17-22(2)27(21)19-29(35)33(42)38-20-24-11-7-6-10-23(24)18-30(38)32(41)36-15-9-8-14-28(34)31(40)37-25-12-4-3-5-13-25/h3-7,10-13,16-17,28-30,39H,8-9,14-15,18-20,34-35H2,1-2H3,(H,36,41)(H,37,40)/t28-,29-,30-/m0/s1
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2.02n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207196
PNG
((S)-N-((S)-5-acetamido-6-oxo-6-(phenylamino)hexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H43N5O5/c1-22-17-28(42)18-23(2)29(22)20-30(36)35(45)40-21-26-12-8-7-11-25(26)19-32(40)34(44)37-16-10-9-15-31(38-24(3)41)33(43)39-27-13-5-4-6-14-27/h4-8,11-14,17-18,30-32,42H,9-10,15-16,19-21,36H2,1-3H3,(H,37,44)(H,38,41)(H,39,43)/t30-,31-,32-/m0/s1
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2.57n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207191
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)NCCCC[C@H](N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-27(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)36-14-8-7-11-26(34)31-37-28-12-5-6-13-29(28)38-31/h3-6,9-10,12-13,15-16,26-27,30,40H,7-8,11,14,17-19,34-35H2,1-2H3,(H,36,41)(H,37,38)/t26-,27-,30-/m0/s1
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2.64n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207190
PNG
(CHEMBL396423 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)43-20-12-11-19-36(38(48)44-32-17-7-4-8-18-32)45-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,49)(H,44,48)(H,45,51)/t35-,36-,37-/m0/s1
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2.67n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207189
PNG
(CHEMBL438681 | benzyl (S)-5-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)43-19-11-10-18-36(38-44-34-16-8-9-17-35(34)45-38)46-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,49)(H,44,45)(H,46,51)/t33-,36-,37-/m0/s1
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2.78n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207194
PNG
(CHEMBL232812 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H49N5O6/c1-28-21-34(48)22-29(2)35(28)24-36(43)41(51)47-26-33-18-10-9-17-32(33)23-38(47)40(50)44-20-12-11-19-37(39(49)45-25-30-13-5-3-6-14-30)46-42(52)53-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-38,48H,11-12,19-20,23-27,43H2,1-2H3,(H,44,50)(H,45,49)(H,46,52)/t36-,37-,38-/m0/s1
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3.15n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50207188
PNG
((S)-N-((S)-5-acetamido-6-(benzylamino)-6-oxohexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H45N5O5/c1-23-17-29(43)18-24(2)30(23)20-31(37)36(46)41-22-28-14-8-7-13-27(28)19-33(41)35(45)38-16-10-9-15-32(40-25(3)42)34(44)39-21-26-11-5-4-6-12-26/h4-8,11-14,17-18,31-33,43H,9-10,15-16,19-22,37H2,1-3H3,(H,38,45)(H,39,44)(H,40,42)/t31-,32-,33-/m0/s1
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3.43n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant kappa-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant delta-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM26335
PNG
(3-[2-({5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphen...)
Show SMILES [#6]-[#6]-c1ccc(-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])n(-[#6]-c3ccc(-[#8]-[#6])cc3)c2=O)cc1
Show InChI InChI=1S/C23H29N7O3/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)
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22 -45.5n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418589
PNG
(CHEMBL1783821)
Show SMILES C(CNC[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C27H37N3O/c1-2-8-23(9-3-1)21-30-17-6-11-25(30)20-28-15-7-16-29-18-13-27(14-19-29)26-12-5-4-10-24(26)22-31-27/h1-5,8-10,12,25,28H,6-7,11,13-22H2/t25-/m1/s1
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49n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418587
PNG
(CHEMBL1783817)
Show SMILES N[C@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C24H31N3O2/c25-22(17-19-7-2-1-3-8-19)23(28)26-13-6-14-27-15-11-24(12-16-27)21-10-5-4-9-20(21)18-29-24/h1-5,7-10,22H,6,11-18,25H2,(H,26,28)/t22-/m1/s1
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59n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418598
PNG
(CHEMBL1783818)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C24H31N3O2/c25-22(17-19-7-2-1-3-8-19)23(28)26-13-6-14-27-15-11-24(12-16-27)21-10-5-4-9-20(21)18-29-24/h1-5,7-10,22H,6,11-18,25H2,(H,26,28)/t22-/m0/s1
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59n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418588
PNG
(CHEMBL1783819)
Show SMILES O=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C24H31N3O2/c28-23(18-25-17-20-7-2-1-3-8-20)26-13-6-14-27-15-11-24(12-16-27)22-10-5-4-9-21(22)19-29-24/h1-5,7-10,25H,6,11-19H2,(H,26,28)
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60n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418595
PNG
(CHEMBL1783827)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m0/s1
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83n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418590
PNG
(CHEMBL1783822)
Show SMILES O=C(OCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O3/c30-26(25-12-6-16-29(25)20-22-8-2-1-3-9-22)31-19-7-15-28-17-13-27(14-18-28)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2/t25-/m1/s1
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107n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418591
PNG
(CHEMBL1783823)
Show SMILES C(COC[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C27H36N2O2/c1-2-8-23(9-3-1)20-29-16-6-11-25(29)22-30-19-7-15-28-17-13-27(14-18-28)26-12-5-4-10-24(26)21-31-27/h1-5,8-10,12,25H,6-7,11,13-22H2/t25-/m1/s1
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158n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50418594
PNG
(CHEMBL1783826)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
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191n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant mu-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50418594
PNG
(CHEMBL1783826)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
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316n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant kappa-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM26336
PNG
(6-[(2-aminoethyl)amino]-3-[(4-ethylphenyl)methyl]-...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C22H27N5O3/c1-3-16-4-6-17(7-5-16)15-27-21(28)25-20(24-13-12-23)26(22(27)29)14-18-8-10-19(30-2)11-9-18/h4-11H,3,12-15,23H2,1-2H3,(H,24,25,28)
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440 -37.7n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50418594
PNG
(CHEMBL1783826)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant delta-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418597
PNG
(CHEMBL1783820)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)[C@H]1CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C28H37N3O2/c1-29(27(32)26-13-7-18-31(26)21-23-9-3-2-4-10-23)16-8-17-30-19-14-28(15-20-30)25-12-6-5-11-24(25)22-33-28/h2-6,9-12,26H,7-8,13-22H2,1H3/t26-/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Prokineticin receptor 2


(Homo sapiens (Human))
BDBM26335
PNG
(3-[2-({5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphen...)
Show SMILES [#6]-[#6]-c1ccc(-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])n(-[#6]-c3ccc(-[#8]-[#6])cc3)c2=O)cc1
Show InChI InChI=1S/C23H29N7O3/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)
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1.61E+3 -34.4n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM26337
PNG
(6-{[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]ami...)
Show SMILES [#6]-[#6]-c1ccc(-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6]-3/[#7]-[#6]-[#6]-[#7]-3)n(-[#6]-c3ccc(-[#8]-[#6])cc3)c2=O)cc1
Show InChI InChI=1S/C25H31N7O3/c1-3-18-4-6-19(7-5-18)17-32-24(33)30-23(29-15-14-28-22-26-12-13-27-22)31(25(32)34)16-20-8-10-21(35-2)11-9-20/h4-11H,3,12-17H2,1-2H3,(H2,26,27,28)(H,29,30,33)
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4.72E+3 -31.6n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418592
PNG
(CHEMBL1783824)
Show SMILES C(CC=C[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)NCc1ccccc21 |r|
Show InChI InChI=1S/C28H37N3/c1-3-10-24(11-4-1)23-31-19-9-14-26(31)13-5-2-8-18-30-20-16-28(17-21-30)27-15-7-6-12-25(27)22-29-28/h1,3-7,10-13,15,26,29H,2,8-9,14,16-23H2/t26-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418596
PNG
(CHEMBL1783828)
Show SMILES CCn1c2ccccc2n(C2CCN(CCCNC(=O)[C@H]3CCCN3Cc3ccccc3)CC2)c1=O |r|
Show InChI InChI=1S/C29H39N5O2/c1-2-33-25-12-6-7-13-26(25)34(29(33)36)24-15-20-31(21-16-24)18-9-17-30-28(35)27-14-8-19-32(27)22-23-10-4-3-5-11-23/h3-7,10-13,24,27H,2,8-9,14-22H2,1H3,(H,30,35)/t27-/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418593
PNG
(CHEMBL1783825)
Show SMILES O=C(NCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)[C@H]1CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C28H37N5O2/c34-26(25-13-7-18-32(25)21-23-9-3-1-4-10-23)29-16-8-17-31-19-14-28(15-20-31)27(35)30-22-33(28)24-11-5-2-6-12-24/h1-6,9-12,25H,7-8,13-22H2,(H,29,34)(H,30,35)/t25-/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Prokineticin receptor 2


(Homo sapiens (Human))
BDBM26336
PNG
(6-[(2-aminoethyl)amino]-3-[(4-ethylphenyl)methyl]-...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C22H27N5O3/c1-3-16-4-6-17(7-5-16)15-27-21(28)25-20(24-13-12-23)26(22(27)29)14-18-8-10-19(30-2)11-9-18/h4-11H,3,12-15,23H2,1-2H3,(H,24,25,28)
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2.34E+4 -27.5n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Prokineticin receptor 2


(Homo sapiens (Human))
BDBM26337
PNG
(6-{[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]ami...)
Show SMILES [#6]-[#6]-c1ccc(-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6]-3/[#7]-[#6]-[#6]-[#7]-3)n(-[#6]-c3ccc(-[#8]-[#6])cc3)c2=O)cc1
Show InChI InChI=1S/C25H31N7O3/c1-3-18-4-6-19(7-5-18)17-32-24(33)30-23(29-15-14-28-22-26-12-13-27-22)31(25(32)34)16-20-8-10-21(35-2)11-9-20/h4-11H,3,12-17H2,1-2H3,(H2,26,27,28)(H,29,30,33)
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7.12E+4 -24.6n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50207191
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)NCCCC[C@H](N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C33H40N6O3/c1-20-15-24(40)16-21(2)25(20)18-27(35)33(42)39-19-23-10-4-3-9-22(23)17-30(39)32(41)36-14-8-7-11-26(34)31-37-28-12-5-6-13-29(28)38-31/h3-6,9-10,12-13,15-16,26-27,30,40H,7-8,11,14,17-19,34-35H2,1-2H3,(H,36,41)(H,37,38)/t26-,27-,30-/m0/s1
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n/an/a 434n/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 assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50207196
PNG
((S)-N-((S)-5-acetamido-6-oxo-6-(phenylamino)hexyl)...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H43N5O5/c1-22-17-28(42)18-23(2)29(22)20-30(36)35(45)40-21-26-12-8-7-11-25(26)19-32(40)34(44)37-16-10-9-15-31(38-24(3)41)33(43)39-27-13-5-4-6-14-27/h4-8,11-14,17-18,30-32,42H,9-10,15-16,19-21,36H2,1-3H3,(H,37,44)(H,38,41)(H,39,43)/t30-,31-,32-/m0/s1
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n/an/a 486n/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 assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50207193
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)NCCCC[C@H](N)C(=O)Nc1ccccc1
Show InChI InChI=1S/C33H41N5O4/c1-21-16-26(39)17-22(2)27(21)19-29(35)33(42)38-20-24-11-7-6-10-23(24)18-30(38)32(41)36-15-9-8-14-28(34)31(40)37-25-12-4-3-5-13-25/h3-7,10-13,16-17,28-30,39H,8-9,14-15,18-20,34-35H2,1-2H3,(H,36,41)(H,37,40)/t28-,29-,30-/m0/s1
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n/an/a 515n/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 assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50207192
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)NCCCC[C@H](N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H43N5O4/c1-22-16-27(40)17-23(2)28(22)19-30(36)34(43)39-21-26-13-7-6-12-25(26)18-31(39)33(42)37-15-9-8-14-29(35)32(41)38-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,40H,8-9,14-15,18-21,35-36H2,1-2H3,(H,37,42)(H,38,41)/t29-,30-,31-/m0/s1
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n/an/a 553n/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 assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50207195
PNG
((S)-N-((S)-5-acetamido-5-(1H-benzo[d]imidazol-2-yl...)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C35H42N6O4/c1-21-16-26(43)17-22(2)27(21)19-28(36)35(45)41-20-25-11-5-4-10-24(25)18-32(41)34(44)37-15-9-8-14-31(38-23(3)42)33-39-29-12-6-7-13-30(29)40-33/h4-7,10-13,16-17,28,31-32,43H,8-9,14-15,18-20,36H2,1-3H3,(H,37,44)(H,38,42)(H,39,40)/t28-,31-,32-/m0/s1
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n/an/a 610n/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 assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50207189
PNG
(CHEMBL438681 | benzyl (S)-5-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C41H46N6O5/c1-26-20-31(48)21-27(2)32(26)23-33(42)40(50)47-24-30-15-7-6-14-29(30)22-37(47)39(49)43-19-11-10-18-36(38-44-34-16-8-9-17-35(34)45-38)46-41(51)52-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,48H,10-11,18-19,22-25,42H2,1-2H3,(H,43,49)(H,44,45)(H,46,51)/t33-,36-,37-/m0/s1
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n/an/a 618n/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 assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50207190
PNG
(CHEMBL396423 | benzyl (S)-6-((S)-2-((S)-2-amino-3-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C41H47N5O6/c1-27-21-33(47)22-28(2)34(27)24-35(42)40(50)46-25-31-16-10-9-15-30(31)23-37(46)39(49)43-20-12-11-19-36(38(48)44-32-17-7-4-8-18-32)45-41(51)52-26-29-13-5-3-6-14-29/h3-10,13-18,21-22,35-37,47H,11-12,19-20,23-26,42H2,1-2H3,(H,43,49)(H,44,48)(H,45,51)/t35-,36-,37-/m0/s1
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n/an/a 711n/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 assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 3143-51 (2007)


Article DOI: 10.1016/j.bmc.2007.02.039
BindingDB Entry DOI: 10.7270/Q2ST7PHP
More data for this
Ligand-Target Pair
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