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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 50000220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242686
PNG
(CHEMBL4077003)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(=O)C1CCCCC1
Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242673
PNG
(CHEMBL4092037)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCc1ccccc1
Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,21-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242684
PNG
(CHEMBL4067358)
Show SMILES CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(C3)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242683
PNG
(CHEMBL4084184)
Show SMILES CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(C3)c2cccc(O)c2)cc1
Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242687
PNG
(CHEMBL4062974)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(=O)C1CCCCC1
Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242684
PNG
(CHEMBL4067358)
Show SMILES CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(C3)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242686
PNG
(CHEMBL4077003)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(=O)C1CCCCC1
Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242690
PNG
(CHEMBL4071120)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCOc1ccccc1
Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/t19-,20-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242673
PNG
(CHEMBL4092037)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCc1ccccc1
Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,21-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242683
PNG
(CHEMBL4084184)
Show SMILES CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(C3)c2cccc(O)c2)cc1
Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242676
PNG
(CHEMBL4059786)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCc1ccccc1
Show InChI InChI=1S/C23H28N2O/c24-23(26)19-10-4-9-18(14-19)20-15-21-11-12-22(16-20)25(21)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,20-22H,5,8,11-13,15-16H2,(H2,24,26)/t21-,22-/m1/s1
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0.126n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242676
PNG
(CHEMBL4059786)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCc1ccccc1
Show InChI InChI=1S/C23H28N2O/c24-23(26)19-10-4-9-18(14-19)20-15-21-11-12-22(16-20)25(21)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,20-22H,5,8,11-13,15-16H2,(H2,24,26)/t21-,22-/m1/s1
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0.158n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242687
PNG
(CHEMBL4062974)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(=O)C1CCCCC1
Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1
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0.158n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242672
PNG
(CHEMBL4071225)
Show SMILES Oc1cccc(c1)C1CC2CCC(C1)N2CCCc1ccccc1
Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2
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0.158n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242678
PNG
(CHEMBL4062483)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCOc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-7-4-6-17(14-18)19-15-20-10-11-21(16-19)25(20)12-5-13-27-22-8-2-1-3-9-22/h1-4,6-9,14,19-21H,5,10-13,15-16H2,(H2,24,26)/t20-,21-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242690
PNG
(CHEMBL4071120)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCOc1ccccc1
Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/t19-,20-/m1/s1
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0.251n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242679
PNG
(CHEMBL4082678)
Show SMILES CCCCCCCN1[C@@H]2CC[C@@H]1CC(C2)c1cccc(O)c1
Show InChI InChI=1S/C20H31NO/c1-2-3-4-5-6-12-21-18-10-11-19(21)14-17(13-18)16-8-7-9-20(22)15-16/h7-9,15,17-19,22H,2-6,10-14H2,1H3/t18-,19-/m1/s1
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0.251n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242689
PNG
(CHEMBL4069933)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/m1/s1
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0.251n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242688
PNG
(CHEMBL4065743)
Show SMILES OC(CN1[C@@H]2CC[C@@H]1CC(C2)c1cccc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C22H27NO2/c24-21-8-4-7-17(14-21)18-12-19-9-10-20(13-18)23(19)15-22(25)11-16-5-2-1-3-6-16/h1-8,14,18-20,22,24-25H,9-13,15H2/t19-,20-,22?/m1/s1
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0.251n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242679
PNG
(CHEMBL4082678)
Show SMILES CCCCCCCN1[C@@H]2CC[C@@H]1CC(C2)c1cccc(O)c1
Show InChI InChI=1S/C20H31NO/c1-2-3-4-5-6-12-21-18-10-11-19(21)14-17(13-18)16-8-7-9-20(22)15-16/h7-9,15,17-19,22H,2-6,10-14H2,1H3/t18-,19-/m1/s1
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0.251n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50088381
PNG
(ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg)
Show SMILES C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
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0.316n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242689
PNG
(CHEMBL4069933)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/m1/s1
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0.316n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242680
PNG
(CHEMBL4060795)
Show SMILES CCCCCCCN1[C@@H]2CC[C@@H]1CC(C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1
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0.398n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242680
PNG
(CHEMBL4060795)
Show SMILES CCCCCCCN1[C@@H]2CC[C@@H]1CC(C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1
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0.398n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242683
PNG
(CHEMBL4084184)
Show SMILES CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(C3)c2cccc(O)c2)cc1
Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1
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0.501n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242686
PNG
(CHEMBL4077003)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(=O)C1CCCCC1
Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1
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0.501n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242673
PNG
(CHEMBL4092037)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCc1ccccc1
Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,21-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242677
PNG
(CHEMBL4088609)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H28N2O3/c28-21-7-5-6-17(16-21)18-14-19-10-11-20(15-18)26(19)12-3-4-13-27-24(29)22-8-1-2-9-23(22)25(27)30/h1-2,5-9,16,18-20,28H,3-4,10-15H2/t19-,20-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242677
PNG
(CHEMBL4088609)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H28N2O3/c28-21-7-5-6-17(16-21)18-14-19-10-11-20(15-18)26(19)12-3-4-13-27-24(29)22-8-1-2-9-23(22)25(27)30/h1-2,5-9,16,18-20,28H,3-4,10-15H2/t19-,20-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242686
PNG
(CHEMBL4077003)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(=O)C1CCCCC1
Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242678
PNG
(CHEMBL4062483)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCOc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-7-4-6-17(14-18)19-15-20-10-11-21(16-19)25(20)12-5-13-27-22-8-2-1-3-9-22/h1-4,6-9,14,19-21H,5,10-13,15-16H2,(H2,24,26)/t20-,21-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242672
PNG
(CHEMBL4071225)
Show SMILES Oc1cccc(c1)C1CC2CCC(C1)N2CCCc1ccccc1
Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2
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1.30n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242676
PNG
(CHEMBL4059786)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCc1ccccc1
Show InChI InChI=1S/C23H28N2O/c24-23(26)19-10-4-9-18(14-19)20-15-21-11-12-22(16-20)25(21)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,14,20-22H,5,8,11-13,15-16H2,(H2,24,26)/t21-,22-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242685
PNG
(CHEMBL4082129)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C26H29N3O3/c27-24(30)18-7-5-6-17(14-18)19-15-20-10-11-21(16-19)28(20)12-3-4-13-29-25(31)22-8-1-2-9-23(22)26(29)32/h1-2,5-9,14,19-21H,3-4,10-13,15-16H2,(H2,27,30)/t20-,21-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242690
PNG
(CHEMBL4071120)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCOc1ccccc1
Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/t19-,20-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242684
PNG
(CHEMBL4067358)
Show SMILES CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(C3)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C25H32N2O/c1-25(2,3)21-9-7-17(8-10-21)16-27-22-11-12-23(27)15-20(14-22)18-5-4-6-19(13-18)24(26)28/h4-10,13,20,22-23H,11-12,14-16H2,1-3H3,(H2,26,28)/t22-,23-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242683
PNG
(CHEMBL4084184)
Show SMILES CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(C3)c2cccc(O)c2)cc1
Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1
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2n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242687
PNG
(CHEMBL4062974)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(=O)C1CCCCC1
Show InChI InChI=1S/C22H30N2O2/c23-22(26)17-8-4-7-16(11-17)18-12-19-9-10-20(13-18)24(19)14-21(25)15-5-2-1-3-6-15/h4,7-8,11,15,18-20H,1-3,5-6,9-10,12-14H2,(H2,23,26)/t19-,20-/m1/s1
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2n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242686
PNG
(CHEMBL4077003)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(=O)C1CCCCC1
Show InChI InChI=1S/C21H29NO2/c23-20-8-4-7-16(13-20)17-11-18-9-10-19(12-17)22(18)14-21(24)15-5-2-1-3-6-15/h4,7-8,13,15,17-19,23H,1-3,5-6,9-12,14H2/t18-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242679
PNG
(CHEMBL4082678)
Show SMILES CCCCCCCN1[C@@H]2CC[C@@H]1CC(C2)c1cccc(O)c1
Show InChI InChI=1S/C20H31NO/c1-2-3-4-5-6-12-21-18-10-11-19(21)14-17(13-18)16-8-7-9-20(22)15-16/h7-9,15,17-19,22H,2-6,10-14H2,1H3/t18-,19-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242683
PNG
(CHEMBL4084184)
Show SMILES CC(C)(C)c1ccc(CN2[C@@H]3CC[C@@H]2CC(C3)c2cccc(O)c2)cc1
Show InChI InChI=1S/C24H31NO/c1-24(2,3)20-9-7-17(8-10-20)16-25-21-11-12-22(25)14-19(13-21)18-5-4-6-23(26)15-18/h4-10,15,19,21-22,26H,11-14,16H2,1-3H3/t21-,22-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242680
PNG
(CHEMBL4060795)
Show SMILES CCCCCCCN1[C@@H]2CC[C@@H]1CC(C2)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242690
PNG
(CHEMBL4071120)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCOc1ccccc1
Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/t19-,20-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242685
PNG
(CHEMBL4082129)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C26H29N3O3/c27-24(30)18-7-5-6-17(14-18)19-15-20-10-11-21(16-19)28(20)12-3-4-13-29-25(31)22-8-1-2-9-23(22)26(29)32/h1-2,5-9,14,19-21H,3-4,10-13,15-16H2,(H2,27,30)/t20-,21-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242678
PNG
(CHEMBL4062483)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCOc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c24-23(26)18-7-4-6-17(14-18)19-15-20-10-11-21(16-19)25(20)12-5-13-27-22-8-2-1-3-9-22/h1-4,6-9,14,19-21H,5,10-13,15-16H2,(H2,24,26)/t20-,21-/m1/s1
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4n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50242689
PNG
(CHEMBL4069933)
Show SMILES NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CC(O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/m1/s1
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4n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50242681
PNG
(CHEMBL4069480)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2Cc1c(F)cccc1F
Show InChI InChI=1S/C20H21F2NO/c21-19-5-2-6-20(22)18(19)12-23-15-7-8-16(23)10-14(9-15)13-3-1-4-17(24)11-13/h1-6,11,14-16,24H,7-10,12H2/t15-,16-/m1/s1
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5n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50242673
PNG
(CHEMBL4092037)
Show SMILES Oc1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCc1ccccc1
Show InChI InChI=1S/C22H27NO/c24-22-10-4-9-18(16-22)19-14-20-11-12-21(15-19)23(20)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,19-21,24H,5,8,11-15H2/t20-,21-/m1/s1
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5n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50088381
PNG
(ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg)
Show SMILES C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
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5n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50088381
PNG
(ADL 8-2698 | ALVIMOPAN | Alvimopan | Entereg)
Show SMILES C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
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5n/an/an/an/an/an/an/an/a



Theravance Biopharma US, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes


Bioorg Med Chem Lett 27: 2926-2930 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.092
BindingDB Entry DOI: 10.7270/Q2WD430K
More data for this
Ligand-Target Pair
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