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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50037742   
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


(GUINEA PIG)
BDBM50189257
PNG
(CHEMBL378753 | NalBzOH)
Show SMILES Oc1ccc2CC3N(CC=C)CCC45[C@H](Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1 |w:23.28,TLB:22:21:7.11.12:17.5.4,THB:8:7:21:17.5.4,16:17:21:7.11.12|
Show InChI InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/t20?,23-,25?,26?/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189257
PNG
(CHEMBL378753 | NalBzOH)
Show SMILES Oc1ccc2CC3N(CC=C)CCC45[C@H](Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1 |w:23.28,TLB:22:21:7.11.12:17.5.4,THB:8:7:21:17.5.4,16:17:21:7.11.12|
Show InChI InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/t20?,23-,25?,26?/m1/s1
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0.300n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50189257
PNG
(CHEMBL378753 | NalBzOH)
Show SMILES Oc1ccc2CC3N(CC=C)CCC45[C@H](Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1 |w:23.28,TLB:22:21:7.11.12:17.5.4,THB:8:7:21:17.5.4,16:17:21:7.11.12|
Show InChI InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/t20?,23-,25?,26?/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189256
PNG
(CHEMBL385048 | M3Pr6S)
Show SMILES CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:12,TLB:22:23:11:27.25.26,7:8:11:27.25.26|
Show InChI InChI=1S/C20H23NO7S/c1-3-16(22)26-14-6-4-11-10-13-12-5-7-15(28-29(23,24)25)19-20(12,8-9-21(13)2)17(11)18(14)27-19/h4-7,12-13,15,19H,3,8-10H2,1-2H3,(H,23,24,25)/t12-,13+,15-,19-,20-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189251
PNG
(CHEMBL213228 | M3P6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)C(C)(C)C |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C22H27NO7S/c1-21(2,3)20(24)28-15-7-5-12-11-14-13-6-8-16(30-31(25,26)27)19-22(13,9-10-23(14)4)17(12)18(15)29-19/h5-8,13-14,16,19H,9-11H2,1-4H3,(H,25,26,27)/t13-,14+,16-,19-,22-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189252
PNG
(CHEMBL214040 | M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C19H21NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3-6,12-13,15,18H,7-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189247
PNG
(CHEMBL1418 | M6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C17H19NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19H,6-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
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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1.10n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189257
PNG
(CHEMBL378753 | NalBzOH)
Show SMILES Oc1ccc2CC3N(CC=C)CCC45[C@H](Oc1c24)C(CCC35O)=NNC(=O)c1ccccc1 |w:23.28,TLB:22:21:7.11.12:17.5.4,THB:8:7:21:17.5.4,16:17:21:7.11.12|
Show InChI InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/t20?,23-,25?,26?/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189258
PNG
(CHEMBL385448 | DM6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C17H21NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189252
PNG
(CHEMBL214040 | M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C19H21NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3-6,12-13,15,18H,7-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189247
PNG
(CHEMBL1418 | M6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C17H19NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19H,6-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189258
PNG
(CHEMBL385448 | DM6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C17H21NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1
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7n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189251
PNG
(CHEMBL213228 | M3P6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)C(C)(C)C |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C22H27NO7S/c1-21(2,3)20(24)28-15-7-5-12-11-14-13-6-8-16(30-31(25,26)27)19-22(13,9-10-23(14)4)17(12)18(15)29-19/h5-8,13-14,16,19H,9-11H2,1-4H3,(H,25,26,27)/t13-,14+,16-,19-,22-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189246
PNG
(CHEMBL437682 | DM3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C19H23NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3,5,12-13,15,18H,4,6-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189251
PNG
(CHEMBL213228 | M3P6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)C(C)(C)C |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C22H27NO7S/c1-21(2,3)20(24)28-15-7-5-12-11-14-13-6-8-16(30-31(25,26)27)19-22(13,9-10-23(14)4)17(12)18(15)29-19/h5-8,13-14,16,19H,9-11H2,1-4H3,(H,25,26,27)/t13-,14+,16-,19-,22-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189247
PNG
(CHEMBL1418 | M6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C17H19NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19H,6-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189258
PNG
(CHEMBL385448 | DM6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C17H21NO6S/c1-18-7-6-17-10-3-5-13(24-25(20,21)22)16(17)23-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19H,3,5-8H2,1H3,(H,20,21,22)/t10-,11+,13-,16-,17-/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189256
PNG
(CHEMBL385048 | M3Pr6S)
Show SMILES CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:12,TLB:22:23:11:27.25.26,7:8:11:27.25.26|
Show InChI InChI=1S/C20H23NO7S/c1-3-16(22)26-14-6-4-11-10-13-12-5-7-15(28-29(23,24)25)19-20(12,8-9-21(13)2)17(11)18(14)27-19/h4-7,12-13,15,19H,3,8-10H2,1-2H3,(H,23,24,25)/t12-,13+,15-,19-,20-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189249
PNG
(CHEMBL211576 | M3IBu6S)
Show SMILES CC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:13,TLB:23:24:12:28.26.27,8:9:12:28.26.27|
Show InChI InChI=1S/C21H25NO7S/c1-11(2)20(23)27-15-6-4-12-10-14-13-5-7-16(29-30(24,25)26)19-21(13,8-9-22(14)3)17(12)18(15)28-19/h4-7,11,13-14,16,19H,8-10H2,1-3H3,(H,24,25,26)/t13-,14+,16-,19-,21-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
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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27n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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34n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189250
PNG
(CHEMBL379928 | MM3A6S)
Show SMILES CC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C |c:11,TLB:21:22:10:26.24.25,6:7:10:26.24.25|
Show InChI InChI=1S/C20H23NO7S/c1-11(22)26-15-6-4-12-10-14-13-5-7-16(28-29(23,24)25)19-20(13,8-9-21(14,2)3)17(12)18(15)27-19/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
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34n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189260
PNG
(CHEMBL209751 | M3B6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C24H23NO7S/c1-25-12-11-24-16-8-10-19(32-33(27,28)29)22(24)31-21-18(9-7-15(20(21)24)13-17(16)25)30-23(26)14-5-3-2-4-6-14/h2-10,16-17,19,22H,11-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189259
PNG
(C6S | CHEMBL1417)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:9,TLB:19:20:8:24.22.23,4:5:8:24.22.23|
Show InChI InChI=1S/C18H21NO6S/c1-19-8-7-18-11-4-6-14(25-26(20,21)22)17(18)24-16-13(23-2)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17H,7-9H2,1-2H3,(H,20,21,22)/t11-,12+,14-,17-,18-/m0/s1
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39n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189256
PNG
(CHEMBL385048 | M3Pr6S)
Show SMILES CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:12,TLB:22:23:11:27.25.26,7:8:11:27.25.26|
Show InChI InChI=1S/C20H23NO7S/c1-3-16(22)26-14-6-4-11-10-13-12-5-7-15(28-29(23,24)25)19-20(12,8-9-21(13)2)17(11)18(14)27-19/h4-7,12-13,15,19H,3,8-10H2,1-2H3,(H,23,24,25)/t12-,13+,15-,19-,20-/m0/s1
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40n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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58n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189253
PNG
(CHEMBL213737 | DM3B6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C24H25NO7S/c1-25-12-11-24-16-8-10-19(32-33(27,28)29)22(24)31-21-18(9-7-15(20(21)24)13-17(16)25)30-23(26)14-5-3-2-4-6-14/h2-7,9,16-17,19,22H,8,10-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
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62n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189254
PNG
(CHEMBL1415 | M3S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OS([O-])(=O)=O |c:16,THB:7:8:12:1.3.2,17:9:12:1.3.2|
Show InChI InChI=1S/C17H19NO6S/c1-18-7-6-17-10-3-4-12(19)16(17)23-15-13(24-25(20,21)22)5-2-9(14(15)17)8-11(10)18/h2-5,10-12,16,19H,6-8H2,1H3,(H,20,21,22)/t10-,11+,12-,16-,17-/m0/s1
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101n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
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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127n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189252
PNG
(CHEMBL214040 | M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C19H21NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3-6,12-13,15,18H,7-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
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154n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50068133
PNG
((4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
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180n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189245
PNG
(CHEMBL1416 | DC6S)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |TLB:19:20:8:24.22.23,4:5:8:24.22.23|
Show InChI InChI=1S/C18H23NO6S/c1-19-8-7-18-11-4-6-14(25-26(20,21)22)17(18)24-16-13(23-2)5-3-10(15(16)18)9-12(11)19/h3,5,11-12,14,17H,4,6-9H2,1-2H3,(H,20,21,22)/t11-,12+,14-,17-,18-/m0/s1
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196n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50189256
PNG
(CHEMBL385048 | M3Pr6S)
Show SMILES CCC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:12,TLB:22:23:11:27.25.26,7:8:11:27.25.26|
Show InChI InChI=1S/C20H23NO7S/c1-3-16(22)26-14-6-4-11-10-13-12-5-7-15(28-29(23,24)25)19-20(12,8-9-21(13)2)17(11)18(14)27-19/h4-7,12-13,15,19H,3,8-10H2,1-2H3,(H,23,24,25)/t12-,13+,15-,19-,20-/m0/s1
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252n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189249
PNG
(CHEMBL211576 | M3IBu6S)
Show SMILES CC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:13,TLB:23:24:12:28.26.27,8:9:12:28.26.27|
Show InChI InChI=1S/C21H25NO7S/c1-11(2)20(23)27-15-6-4-12-10-14-13-5-7-16(29-30(24,25)26)19-21(13,8-9-22(14)3)17(12)18(15)28-19/h4-7,11,13-14,16,19H,8-10H2,1-3H3,(H,24,25,26)/t13-,14+,16-,19-,21-/m0/s1
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266n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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277n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189246
PNG
(CHEMBL437682 | DM3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C19H23NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3,5,12-13,15,18H,4,6-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
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325n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189250
PNG
(CHEMBL379928 | MM3A6S)
Show SMILES CC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)C |c:11,TLB:21:22:10:26.24.25,6:7:10:26.24.25|
Show InChI InChI=1S/C20H23NO7S/c1-11(22)26-15-6-4-12-10-14-13-5-7-16(28-29(23,24)25)19-20(13,8-9-21(14,2)3)17(12)18(15)27-19/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
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400n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189259
PNG
(C6S | CHEMBL1417)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:9,TLB:19:20:8:24.22.23,4:5:8:24.22.23|
Show InChI InChI=1S/C18H21NO6S/c1-19-8-7-18-11-4-6-14(25-26(20,21)22)17(18)24-16-13(23-2)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17H,7-9H2,1-2H3,(H,20,21,22)/t11-,12+,14-,17-,18-/m0/s1
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414n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50189248
PNG
(CHEMBL211374 | MM3B6S)
Show SMILES C[N+]1(C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:17,THB:8:9:13:1.4.3,22:10:13:1.4.3|
Show InChI InChI=1S/C25H25NO7S/c1-26(2)13-12-25-17-9-11-20(33-34(28,29)30)23(25)32-22-19(10-8-16(21(22)25)14-18(17)26)31-24(27)15-6-4-3-5-7-15/h3-11,17-18,20,23H,12-14H2,1-2H3/t17-,18+,20-,23-,25-/m0/s1
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444n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189259
PNG
(C6S | CHEMBL1417)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:9,TLB:19:20:8:24.22.23,4:5:8:24.22.23|
Show InChI InChI=1S/C18H21NO6S/c1-19-8-7-18-11-4-6-14(25-26(20,21)22)17(18)24-16-13(23-2)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17H,7-9H2,1-2H3,(H,20,21,22)/t11-,12+,14-,17-,18-/m0/s1
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455n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Cavia porcellus)
BDBM50189260
PNG
(CHEMBL209751 | M3B6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C24H23NO7S/c1-25-12-11-24-16-8-10-19(32-33(27,28)29)22(24)31-21-18(9-7-15(20(21)24)13-17(16)25)30-23(26)14-5-3-2-4-6-14/h2-10,16-17,19,22H,11-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
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513n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189249
PNG
(CHEMBL211576 | M3IBu6S)
Show SMILES CC(C)C(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OS([O-])(=O)=O)[C@@H]5Oc1c2[C@]45CC[NH+]3C |c:13,TLB:23:24:12:28.26.27,8:9:12:28.26.27|
Show InChI InChI=1S/C21H25NO7S/c1-11(2)20(23)27-15-6-4-12-10-14-13-5-7-16(29-30(24,25)26)19-21(13,8-9-22(14)3)17(12)18(15)28-19/h4-7,11,13-14,16,19H,8-10H2,1-3H3,(H,24,25,26)/t13-,14+,16-,19-,21-/m0/s1
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584n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50189260
PNG
(CHEMBL209751 | M3B6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |c:16,THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C24H23NO7S/c1-25-12-11-24-16-8-10-19(32-33(27,28)29)22(24)31-21-18(9-7-15(20(21)24)13-17(16)25)30-23(26)14-5-3-2-4-6-14/h2-10,16-17,19,22H,11-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
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600n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair
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