Compile Data Set for Download or QSAR
Found 92 Enz. Inhib. hit(s) with all data for entry = 50009513
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529505(CHEMBL3954068)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)CO
Show InChI InChI=1S/C25H37N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-23,29H,1-3,5-6,9-12,14-17H2,(H2,26,31)/t21-,22+,23-
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529522(CHEMBL4471516)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)c1ccco1
Show InChI InChI=1S/C28H37N3O3/c29-27(32)22-9-4-8-21(16-22)23-17-24-11-12-25(18-23)31(24)14-13-30(19-20-6-2-1-3-7-20)28(33)26-10-5-15-34-26/h4-5,8-10,15-16,20,23-25H,1-3,6-7,11-14,17-19H2,(H2,29,32)/t23-,24+,25-
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50045758(3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-6,8-9,11-12,16,18,24H,7,10,13-15,17H2,1-2H3/t18-,22+/m0/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529509(CHEMBL4467513)
Show SMILES CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C25H37N3O2/c1-18(29)27(17-19-6-3-2-4-7-19)12-13-28-23-10-11-24(28)16-22(15-23)20-8-5-9-21(14-20)25(26)30/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,30)/t22-,23+,24-
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529515(CHEMBL3919761)
Show SMILES CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C26H39N3O4S/c1-34(32,33)18-25(30)28(17-19-6-3-2-4-7-19)12-13-29-23-10-11-24(29)16-22(15-23)20-8-5-9-21(14-20)26(27)31/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-18H2,1H3,(H2,27,31)/t22-,23+,24-
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529522(CHEMBL4471516)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)c1ccco1
Show InChI InChI=1S/C28H37N3O3/c29-27(32)22-9-4-8-21(16-22)23-17-24-11-12-25(18-23)31(24)14-13-30(19-20-6-2-1-3-7-20)28(33)26-10-5-15-34-26/h4-5,8-10,15-16,20,23-25H,1-3,6-7,11-14,17-19H2,(H2,29,32)/t23-,24+,25-
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529518(CHEMBL4463675)
Show SMILES CCC(CC)CN(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show InChI InChI=1S/C25H39N3O3/c1-3-18(4-2)16-27(24(30)17-29)11-6-12-28-22-9-10-23(28)15-21(14-22)19-7-5-8-20(13-19)25(26)31/h5,7-8,13,18,21-23,29H,3-4,6,9-12,14-17H2,1-2H3,(H2,26,31)/t21-,22+,23-
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529514(CHEMBL3906031)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(Cc1ccccc1)C(=O)CO
Show InChI InChI=1S/C25H31N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h1-8,13,21-23,29H,9-12,14-17H2,(H2,26,31)/t21-,22+,23-
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529515(CHEMBL3919761)
Show SMILES CS(=O)(=O)CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C26H39N3O4S/c1-34(32,33)18-25(30)28(17-19-6-3-2-4-7-19)12-13-29-23-10-11-24(29)16-22(15-23)20-8-5-9-21(14-20)26(27)31/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-18H2,1H3,(H2,27,31)/t22-,23+,24-
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529520(CHEMBL4520212)
Show SMILES COC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C25H37N3O3/c1-31-25(30)27(17-18-6-3-2-4-7-18)12-13-28-22-10-11-23(28)16-21(15-22)19-8-5-9-20(14-19)24(26)29/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,29)/t21-,22+,23-
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529505(CHEMBL3954068)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)CO
Show InChI InChI=1S/C25H37N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-23,29H,1-3,5-6,9-12,14-17H2,(H2,26,31)/t21-,22+,23-
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529508(CHEMBL4567073)
Show SMILES CC(C)(C)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C28H43N3O2/c1-28(2,3)27(33)30(19-20-8-5-4-6-9-20)14-15-31-24-12-13-25(31)18-23(17-24)21-10-7-11-22(16-21)26(29)32/h7,10-11,16,20,23-25H,4-6,8-9,12-15,17-19H2,1-3H3,(H2,29,32)/t23-,24+,25-
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529519(CHEMBL3910689)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC(F)(F)CC1)C(=O)CO
Show InChI InChI=1S/C25H35F2N3O3/c26-25(27)8-6-17(7-9-25)15-29(23(32)16-31)10-11-30-21-4-5-22(30)14-20(13-21)18-2-1-3-19(12-18)24(28)33/h1-3,12,17,20-22,31H,4-11,13-16H2,(H2,28,33)/t20-,21+,22-
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529509(CHEMBL4467513)
Show SMILES CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C25H37N3O2/c1-18(29)27(17-19-6-3-2-4-7-19)12-13-28-23-10-11-24(28)16-22(15-23)20-8-5-9-21(14-20)25(26)30/h5,8-9,14,19,22-24H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,30)/t22-,23+,24-
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529499(Axelopran sulfate | TD-1211 Sulfate)
Show SMILES OS(O)(=O)=O.NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C26H39N3O4.H2O4S/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21-,22+,23-,24-;/m0./s1
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529496(CHEMBL4468796)
Show SMILES CCC(CC)CN(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show InChI InChI=1S/C24H37N3O3/c1-3-17(4-2)15-26(23(29)16-28)10-11-27-21-8-9-22(27)14-20(13-21)18-6-5-7-19(12-18)24(25)30/h5-7,12,17,20-22,28H,3-4,8-11,13-16H2,1-2H3,(H2,25,30)/t20-,21+,22-
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529499(Axelopran sulfate | TD-1211 Sulfate)
Show SMILES OS(O)(=O)=O.NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO
Show InChI InChI=1S/C26H39N3O4.H2O4S/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21-,22+,23-,24-;/m0./s1
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529507(CHEMBL3971059)
Show SMILES CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C27H42N4O2/c1-19(2)29-27(33)30(18-20-7-4-3-5-8-20)13-14-31-24-11-12-25(31)17-23(16-24)21-9-6-10-22(15-21)26(28)32/h6,9-10,15,19-20,23-25H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,28,32)(H,29,33)/t23-,24+,25-
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529508(CHEMBL4567073)
Show SMILES CC(C)(C)C(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C28H43N3O2/c1-28(2,3)27(33)30(19-20-8-5-4-6-9-20)14-15-31-24-12-13-25(31)18-23(17-24)21-10-7-11-22(16-21)26(29)32/h7,10-11,16,20,23-25H,4-6,8-9,12-15,17-19H2,1-3H3,(H2,29,32)/t23-,24+,25-
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529496(CHEMBL4468796)
Show SMILES CCC(CC)CN(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show InChI InChI=1S/C24H37N3O3/c1-3-17(4-2)15-26(23(29)16-28)10-11-27-21-8-9-22(27)14-20(13-21)18-6-5-7-19(12-18)24(25)30/h5-7,12,17,20-22,28H,3-4,8-11,13-16H2,1-2H3,(H2,25,30)/t20-,21+,22-
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529510(CHEMBL4474822)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCNCC1CCCCC1
Show InChI InChI=1S/C23H35N3O/c24-23(27)19-8-4-7-18(13-19)20-14-21-9-10-22(15-20)26(21)12-11-25-16-17-5-2-1-3-6-17/h4,7-8,13,17,20-22,25H,1-3,5-6,9-12,14-16H2,(H2,24,27)/t20-,21+,22-
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529518(CHEMBL4463675)
Show SMILES CCC(CC)CN(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show InChI InChI=1S/C25H39N3O3/c1-3-18(4-2)16-27(24(30)17-29)11-6-12-28-22-9-10-23(28)15-21(14-22)19-7-5-8-20(13-19)25(26)31/h5,7-8,13,18,21-23,29H,3-4,6,9-12,14-17H2,1-2H3,(H2,26,31)/t21-,22+,23-
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529507(CHEMBL3971059)
Show SMILES CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C27H42N4O2/c1-19(2)29-27(33)30(18-20-7-4-3-5-8-20)13-14-31-24-11-12-25(31)17-23(16-24)21-9-6-10-22(15-21)26(28)32/h6,9-10,15,19-20,23-25H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,28,32)(H,29,33)/t23-,24+,25-
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529514(CHEMBL3906031)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(Cc1ccccc1)C(=O)CO
Show InChI InChI=1S/C25H31N3O3/c26-25(31)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)28(22)12-11-27(24(30)17-29)16-18-5-2-1-3-6-18/h1-8,13,21-23,29H,9-12,14-17H2,(H2,26,31)/t21-,22+,23-
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529516(CHEMBL3990868)
Show SMILES CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C25H40N4O3S/c1-27(2)33(31,32)28(18-19-7-4-3-5-8-19)13-14-29-23-11-12-24(29)17-22(16-23)20-9-6-10-21(15-20)25(26)30/h6,9-10,15,19,22-24H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,26,30)/t22-,23+,24-
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529520(CHEMBL4520212)
Show SMILES COC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C25H37N3O3/c1-31-25(30)27(17-18-6-3-2-4-7-18)12-13-28-22-10-11-23(28)16-21(15-22)19-8-5-9-20(14-19)24(26)29/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,26,29)/t21-,22+,23-
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529516(CHEMBL3990868)
Show SMILES CN(C)S(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C25H40N4O3S/c1-27(2)33(31,32)28(18-19-7-4-3-5-8-19)13-14-29-23-11-12-24(29)17-22(16-23)20-9-6-10-21(15-20)25(26)30/h6,9-10,15,19,22-24H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,26,30)/t22-,23+,24-
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529506(CHEMBL4475360)
Show SMILES CS(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C24H37N3O3S/c1-31(29,30)26(17-18-6-3-2-4-7-18)12-13-27-22-10-11-23(27)16-21(15-22)19-8-5-9-20(14-19)24(25)28/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,25,28)/t21-,22+,23-
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529510(CHEMBL4474822)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCNCC1CCCCC1
Show InChI InChI=1S/C23H35N3O/c24-23(27)19-8-4-7-18(13-19)20-14-21-9-10-22(15-20)26(21)12-11-25-16-17-5-2-1-3-6-17/h4,7-8,13,17,20-22,25H,1-3,5-6,9-12,14-16H2,(H2,24,27)/t20-,21+,22-
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529519(CHEMBL3910689)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC(F)(F)CC1)C(=O)CO
Show InChI InChI=1S/C25H35F2N3O3/c26-25(27)8-6-17(7-9-25)15-29(23(32)16-31)10-11-30-21-4-5-22(30)14-20(13-21)18-2-1-3-19(12-18)24(28)33/h1-3,12,17,20-22,31H,4-11,13-16H2,(H2,28,33)/t20-,21+,22-
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529503(CHEMBL3990213)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCC1)C(=O)CO
Show InChI InChI=1S/C24H35N3O3/c25-24(30)19-7-3-6-18(12-19)20-13-21-8-9-22(14-20)27(21)11-10-26(23(29)16-28)15-17-4-1-2-5-17/h3,6-7,12,17,20-22,28H,1-2,4-5,8-11,13-16H2,(H2,25,30)/t20-,21+,22-
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529523(CHEMBL4441036)
Show SMILES C[C@H]1CN(C[C@H](Cc2ccccc2)C(O)=O)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m0/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529500(CHEMBL4577852)
Show SMILES C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@H]1c1cccc(O)c1
Show InChI InChI=1S/C24H30N2O4/c1-17-15-26(11-10-22(17)19-8-5-9-21(27)13-19)16-20(24(30)25-14-23(28)29)12-18-6-3-2-4-7-18/h2-9,13,17,20,22,27H,10-12,14-16H2,1H3,(H,25,30)(H,28,29)/t17-,20-,22+/m0/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529503(CHEMBL3990213)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCC1)C(=O)CO
Show InChI InChI=1S/C24H35N3O3/c25-24(30)19-7-3-6-18(12-19)20-13-21-8-9-22(14-20)27(21)11-10-26(23(29)16-28)15-17-4-1-2-5-17/h3,6-7,12,17,20-22,28H,1-2,4-5,8-11,13-16H2,(H2,25,30)/t20-,21+,22-
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529498(CHEMBL4460387)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)Cc1nnn[nH]1
Show InChI InChI=1S/C26H37N7O2/c27-26(35)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)33(22)12-11-32(17-18-5-2-1-3-6-18)25(34)16-24-28-30-31-29-24/h4,7-8,13,18,21-23H,1-3,5-6,9-12,14-17H2,(H2,27,35)(H,28,29,30,31)/t21-,22+,23-
Affinity DataKi:  0.398nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
Affinity DataKi:  0.501nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529504(CHEMBL3962054)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCCc1ccccc1)C(=O)CO
Show InChI InChI=1S/C27H35N3O3/c28-27(33)22-10-4-9-21(16-22)23-17-24-11-12-25(18-23)30(24)15-14-29(26(32)19-31)13-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-10,16,23-25,31H,5,8,11-15,17-19H2,(H2,28,33)/t23-,24+,25-
Affinity DataKi:  0.501nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529511(CHEMBL4519976)
Show SMILES CCC(CC)CN(CCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show InChI InChI=1S/C27H43N3O3/c1-3-20(4-2)18-29(26(32)19-31)13-6-5-7-14-30-24-11-12-25(30)17-23(16-24)21-9-8-10-22(15-21)27(28)33/h8-10,15,20,23-25,31H,3-7,11-14,16-19H2,1-2H3,(H2,28,33)/t23-,24+,25-
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529513(CHEMBL3959336)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCc1ccccc1)C(=O)CO
Show InChI InChI=1S/C26H33N3O3/c27-26(32)21-8-4-7-20(15-21)22-16-23-9-10-24(17-22)29(23)14-13-28(25(31)18-30)12-11-19-5-2-1-3-6-19/h1-8,15,22-24,30H,9-14,16-18H2,(H2,27,32)/t22-,23+,24-
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529502(CHEMBL3990727)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCC1)C(=O)CO
Show InChI InChI=1S/C23H33N3O3/c24-23(29)18-6-2-5-17(11-18)19-12-20-7-8-21(13-19)26(20)10-9-25(22(28)15-27)14-16-3-1-4-16/h2,5-6,11,16,19-21,27H,1,3-4,7-10,12-15H2,(H2,24,29)/t19-,20+,21-
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529524(CHEMBL4541806)
Show SMILES CCC(CC)CN(CCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show InChI InChI=1S/C26H41N3O3/c1-3-19(4-2)17-28(25(31)18-30)12-5-6-13-29-23-10-11-24(29)16-22(15-23)20-8-7-9-21(14-20)26(27)32/h7-9,14,19,22-24,30H,3-6,10-13,15-18H2,1-2H3,(H2,27,32)/t22-,23+,24-
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529506(CHEMBL4475360)
Show SMILES CS(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
Show InChI InChI=1S/C24H37N3O3S/c1-31(29,30)26(17-18-6-3-2-4-7-18)12-13-27-22-10-11-23(27)16-21(15-22)19-8-5-9-20(14-19)24(25)28/h5,8-9,14,18,21-23H,2-4,6-7,10-13,15-17H2,1H3,(H2,25,28)/t21-,22+,23-
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529512(CHEMBL4569252)
Show SMILES CCCCCCN(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show InChI InChI=1S/C24H37N3O3/c1-2-3-4-5-11-26(23(29)17-28)12-13-27-21-9-10-22(27)16-20(15-21)18-7-6-8-19(14-18)24(25)30/h6-8,14,20-22,28H,2-5,9-13,15-17H2,1H3,(H2,25,30)/t20-,21+,22-
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529521(CHEMBL4544814)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O2/c26-25(27,28)24(33)30(16-17-5-2-1-3-6-17)11-12-31-21-9-10-22(31)15-20(14-21)18-7-4-8-19(13-18)23(29)32/h4,7-8,13,17,20-22H,1-3,5-6,9-12,14-16H2,(H2,29,32)/t20-,21+,22-
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529513(CHEMBL3959336)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCc1ccccc1)C(=O)CO
Show InChI InChI=1S/C26H33N3O3/c27-26(32)21-8-4-7-20(15-21)22-16-23-9-10-24(17-22)29(23)14-13-28(25(31)18-30)12-11-19-5-2-1-3-6-19/h1-8,15,22-24,30H,9-14,16-18H2,(H2,27,32)/t22-,23+,24-
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50045758(3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H29NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-6,8-9,11-12,16,18,24H,7,10,13-15,17H2,1-2H3/t18-,22+/m0/s1
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529504(CHEMBL3962054)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CCCc1ccccc1)C(=O)CO
Show InChI InChI=1S/C27H35N3O3/c28-27(33)22-10-4-9-21(16-22)23-17-24-11-12-25(18-23)30(24)15-14-29(26(32)19-31)13-5-8-20-6-2-1-3-7-20/h1-4,6-7,9-10,16,23-25,31H,5,8,11-15,17-19H2,(H2,28,33)/t23-,24+,25-
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529521(CHEMBL4544814)
Show SMILES NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H34F3N3O2/c26-25(27,28)24(33)30(16-17-5-2-1-3-6-17)11-12-31-21-9-10-22(31)15-20(14-21)18-7-4-8-19(13-18)23(29)32/h4,7-8,13,17,20-22H,1-3,5-6,9-12,14-16H2,(H2,29,32)/t20-,21+,22-
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMu-type opioid receptor(Homo sapiens (Human))
Theravance Biopharma US, Inc.

Curated by ChEMBL
LigandPNGBDBM50529497(CHEMBL4476487)
Show SMILES CCC(CC)CN(CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show InChI InChI=1S/C28H45N3O3/c1-3-21(4-2)19-30(27(33)20-32)14-7-5-6-8-15-31-25-12-13-26(31)18-24(17-25)22-10-9-11-23(16-22)28(29)34/h9-11,16,21,24-26,32H,3-8,12-15,17-20H2,1-2H3,(H2,29,34)/t24-,25+,26-
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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