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Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'yeomans' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133884
PNG
(CHEMBL3634251)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1S/C28H38N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h11-14,16,20,26-27,31H,3-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133885
PNG
(CHEMBL3634250)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H39N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h9-10,13-14,16,21,26-27,34H,4-8,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133890
PNG
(CHEMBL3634258)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCc4ccccc34)ccc12 |r|
Show InChI InChI=1S/C32H37N3O3/c1-19-14-25(37)15-20(2)27(19)18-29(33)32(38)34-30-12-13-35(21(3)36)31-11-8-22(17-28(30)31)16-24-10-9-23-6-4-5-7-26(23)24/h4-8,11,14-15,17,24,29-30,37H,9-10,12-13,16,18,33H2,1-3H3,(H,34,38)/t24?,29-,30+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.0430n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133887
PNG
(CHEMBL3634248)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H32N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h3-5,7-8,11-14,16,26-27,31H,6,9-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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0.0450n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133892
PNG
(CHEMBL3634256)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3Cc4ccccc4C3)ccc12 |r|
Show InChI InChI=1S/C32H37N3O3/c1-19-12-26(37)13-20(2)27(19)18-29(33)32(38)34-30-10-11-35(21(3)36)31-9-8-22(17-28(30)31)14-23-15-24-6-4-5-7-25(24)16-23/h4-9,12-13,17,23,29-30,37H,10-11,14-16,18,33H2,1-3H3,(H,34,38)/t29-,30+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133894
PNG
(CHEMBL3634254)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc34)ccc12 |r|
Show InChI InChI=1S/C33H35N3O3/c1-20-15-26(38)16-21(2)28(20)19-30(34)33(39)35-31-13-14-36(22(3)37)32-12-11-23(18-29(31)32)17-25-9-6-8-24-7-4-5-10-27(24)25/h4-12,15-16,18,30-31,38H,13-14,17,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133895
PNG
(CHEMBL3634253)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C32H34N2O2/c1-20-14-27(35)15-21(2)28(20)19-30(33)32(36)34-31-9-5-8-25-13-11-23(18-29(25)31)16-22-10-12-24-6-3-4-7-26(24)17-22/h3-4,6-7,10-15,17-18,30-31,35H,5,8-9,16,19,33H2,1-2H3,(H,34,36)/t30-,31+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.0780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427559
PNG
(CHEMBL2322562)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.0780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133888
PNG
(CHEMBL3634247)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C29H33N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h4-10,13-14,16,26-27,34H,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427558
PNG
(CHEMBL2322560)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CCc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H33N3O2/c1-18-14-22(32)15-19(2)23(18)17-25(29)28(33)31-27-12-13-30-26-11-10-21(16-24(26)27)9-8-20-6-4-3-5-7-20/h3-7,10-11,14-16,25,27,30,32H,8-9,12-13,17,29H2,1-2H3,(H,31,33)/t25-,27+/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133885
PNG
(CHEMBL3634250)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C29H39N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h9-10,13-14,16,21,26-27,34H,4-8,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133893
PNG
(CHEMBL3634255)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C32H34N2O2/c1-20-15-26(35)16-21(2)28(20)19-30(33)32(36)34-31-12-6-9-24-14-13-22(18-29(24)31)17-25-10-5-8-23-7-3-4-11-27(23)25/h3-5,7-8,10-11,13-16,18,30-31,35H,6,9,12,17,19,33H2,1-2H3,(H,34,36)/t30-,31+/m0/s1
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0.390n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133892
PNG
(CHEMBL3634256)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3Cc4ccccc4C3)ccc12 |r|
Show InChI InChI=1S/C32H37N3O3/c1-19-12-26(37)13-20(2)27(19)18-29(33)32(38)34-30-10-11-35(21(3)36)31-9-8-22(17-28(30)31)14-23-15-24-6-4-5-7-25(24)16-23/h4-9,12-13,17,23,29-30,37H,10-11,14-16,18,33H2,1-3H3,(H,34,38)/t29-,30+/m0/s1
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0.440n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427557
PNG
(CHEMBL2322561)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.760n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427557
PNG
(CHEMBL2322561)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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0.760n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133890
PNG
(CHEMBL3634258)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3CCc4ccccc34)ccc12 |r|
Show InChI InChI=1S/C32H37N3O3/c1-19-14-25(37)15-20(2)27(19)18-29(33)32(38)34-30-12-13-35(21(3)36)31-11-8-22(17-28(30)31)16-24-10-9-23-6-4-5-7-26(23)24/h4-8,11,14-15,17,24,29-30,37H,9-10,12-13,16,18,33H2,1-3H3,(H,34,38)/t24?,29-,30+/m0/s1
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0.840n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001590
PNG
(CHEMBL3237722)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133894
PNG
(CHEMBL3634254)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc34)ccc12 |r|
Show InChI InChI=1S/C33H35N3O3/c1-20-15-26(38)16-21(2)28(20)19-30(34)33(39)35-31-13-14-36(22(3)37)32-12-11-23(18-29(31)32)17-25-9-6-8-24-7-4-5-10-27(24)25/h4-12,15-16,18,30-31,38H,13-14,17,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427562
PNG
(CHEMBL2322566)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccc4ccccc4c3)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-13-25(35)14-20(2)26(19)18-28(32)31(36)34-30-11-12-33-29-10-8-22(17-27(29)30)15-21-7-9-23-5-3-4-6-24(23)16-21/h3-10,13-14,16-17,28,30,33,35H,11-12,15,18,32H2,1-2H3,(H,34,36)/t28-,30-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001608
PNG
(CHEMBL3237723)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C40H56N6O12S2/c1-19-11-23(48)12-20(2)24(19)13-25(41)34(53)44-27-18-59-9-10-60-39(3,4)32(45-38(56)40(46-35(27)54)14-21-7-5-6-8-22(21)15-40)36(55)43-26(33(42)52)17-57-37-31(51)30(50)29(49)28(16-47)58-37/h5-8,11-12,25-32,37,47-51H,9-10,13-18,41H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,56)(H,46,54)/t25-,26-,27+,28+,29+,30-,31+,32-,37+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133888
PNG
(CHEMBL3634247)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc12 |r|
Show InChI InChI=1S/C29H33N3O3/c1-18-13-23(34)14-19(2)24(18)17-26(30)29(35)31-27-11-12-32(20(3)33)28-10-9-22(16-25(27)28)15-21-7-5-4-6-8-21/h4-10,13-14,16,26-27,34H,11-12,15,17,30H2,1-3H3,(H,31,35)/t26-,27+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001608
PNG
(CHEMBL3237723)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C40H56N6O12S2/c1-19-11-23(48)12-20(2)24(19)13-25(41)34(53)44-27-18-59-9-10-60-39(3,4)32(45-38(56)40(46-35(27)54)14-21-7-5-6-8-22(21)15-40)36(55)43-26(33(42)52)17-57-37-31(51)30(50)29(49)28(16-47)58-37/h5-8,11-12,25-32,37,47-51H,9-10,13-18,41H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,56)(H,46,54)/t25-,26-,27+,28+,29+,30-,31+,32-,37+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427560
PNG
(CHEMBL2322564)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133887
PNG
(CHEMBL3634248)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H32N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h3-5,7-8,11-14,16,26-27,31H,6,9-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427555
PNG
(CHEMBL2322563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133894
PNG
(CHEMBL3634254)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3cccc4ccccc34)ccc12 |r|
Show InChI InChI=1S/C33H35N3O3/c1-20-15-26(38)16-21(2)28(20)19-30(34)33(39)35-31-13-14-36(22(3)37)32-12-11-23(18-29(31)32)17-25-9-6-8-24-7-4-5-10-27(24)25/h4-12,15-16,18,30-31,38H,13-14,17,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001589
PNG
(CHEMBL3237721)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C34H45N5O8S2/c1-18-11-22(41)12-19(2)23(18)13-24(35)28(42)37-26-17-48-9-10-49-33(3,4)27(30(44)36-25(16-40)31(45)46)38-32(47)34(39-29(26)43)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,40-41H,9-10,13-17,35H2,1-4H3,(H,36,44)(H,37,42)(H,38,47)(H,39,43)(H,45,46)/t24-,25-,26+,27-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analy...


J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133893
PNG
(CHEMBL3634255)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C32H34N2O2/c1-20-15-26(35)16-21(2)28(20)19-30(33)32(36)34-31-12-6-9-24-14-13-22(18-29(24)31)17-25-10-5-8-23-7-3-4-11-27(23)25/h3-5,7-8,10-11,13-16,18,30-31,35H,6,9,12,17,19,33H2,1-2H3,(H,34,36)/t30-,31+/m0/s1
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5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427557
PNG
(CHEMBL2322561)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427557
PNG
(CHEMBL2322561)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cccc4ccccc34)cc12 |r|
Show InChI InChI=1S/C31H33N3O2/c1-19-14-24(35)15-20(2)26(19)18-28(32)31(36)34-30-12-13-33-29-11-10-21(17-27(29)30)16-23-8-5-7-22-6-3-4-9-25(22)23/h3-11,14-15,17,28,30,33,35H,12-13,16,18,32H2,1-2H3,(H,34,36)/t28-,30+/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12 |r|
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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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6.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/m0/s1
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6.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50427563
PNG
(CHEMBL2322567)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1CCNc2ccc(CC3Cc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C30H35N3O2/c1-18-11-24(34)12-19(2)25(18)17-27(31)30(35)33-29-9-10-32-28-8-7-20(16-26(28)29)13-21-14-22-5-3-4-6-23(22)15-21/h3-8,11-12,16,21,27,29,32,34H,9-10,13-15,17,31H2,1-2H3,(H,33,35)/t27-,29-/m0/s1
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UniChem

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Article
PubMed
8n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis


J Med Chem 56: 2139-49 (2013)


Article DOI: 10.1021/jm400050y
BindingDB Entry DOI: 10.7270/Q2K075MP
More data for this
Ligand-Target Pair
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