Compile Data Set for Download or QSAR
Found 14870 with Last Name = 'campbell' and Initial = 'b'
TargetVasopressin V1a receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319772((2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-trimethyl-6...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2
Show InChI InChI=1S/C24H29NO/c1-17-7-5-6-8-21(17)18-9-11-19(12-10-18)22(26)25-16-24(4)14-20(25)13-23(2,3)15-24/h5-12,20H,13-16H2,1-4H3/t20-,24-/m1/s1
Affinity DataKi:  0.0500nMAssay Description:Displacement [3H]Arg human recombinant Vasopressin V1a receptorMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319776((2,2'-dimethylbiphenyl-4-yl)((1S,5R)-1,3,3-trimeth...)
Show SMILES Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2
Show InChI InChI=1S/C25H31NO/c1-17-8-6-7-9-21(17)22-11-10-19(12-18(22)2)23(27)26-16-25(5)14-20(26)13-24(3,4)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
Affinity DataKi:  0.0600nMAssay Description:Displacement [3H]Arg human recombinant Vasopressin V1a receptorMore 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
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
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
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
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
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
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
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
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
TargetVasopressin V1a receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319799((4-(1H-indol-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1c[nH]c2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2
Show InChI InChI=1S/C26H30N2O2/c1-25(2)12-18-13-26(3,15-25)16-28(18)24(29)17-9-10-20(23(11-17)30-4)21-14-27-22-8-6-5-7-19(21)22/h5-11,14,18,27H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
Affinity DataKi:  0.100nMAssay Description:Displacement [3H]Arg human recombinant Vasopressin V1a receptorMore data for this Ligand-Target Pair
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
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
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
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
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
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
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Glaxo Research and Development Ltd.

Curated by ChEMBL
LigandPNGBDBM79215(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
Affinity DataKi:  0.126nMAssay Description:Binding affinity against 5-hydroxytryptamine 1D receptor betaMore data for this Ligand-Target Pair
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
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
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
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
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
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
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
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
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
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
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
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
TargetD(2) dopamine receptor(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50130293(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranesMore data for this Ligand-Target Pair
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
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
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
TargetVasopressin V1a receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319774((3-chloro-2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-tr...)
Show SMILES Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1
Show InChI InChI=1S/C24H28ClNO/c1-16-7-5-6-8-19(16)17-9-10-20(21(25)11-17)22(27)26-15-24(4)13-18(26)12-23(2,3)14-24/h5-11,18H,12-15H2,1-4H3/t18-,24-/m1/s1
Affinity DataKi:  0.310nMAssay Description:Displacement [3H]Arg human recombinant Vasopressin V1a receptorMore 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
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
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
TargetVasopressin V2 receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM85095(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
Affinity DataKi:  0.360nMAssay Description:Displacement [3H]Arg human recombinant Vasopressin V2 receptorMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319788(CHEMBL1084325 | N-(2'-methoxy-4'-((1S,5R)-1,3,3-tr...)
Show SMILES COc1cc(ccc1-c1cccc(NC(C)=O)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2
Show InChI InChI=1S/C26H32N2O3/c1-17(29)27-20-8-6-7-18(11-20)22-10-9-19(12-23(22)31-5)24(30)28-16-26(4)14-21(28)13-25(2,3)15-26/h6-12,21H,13-16H2,1-5H3,(H,27,29)/t21-,26-/m1/s1
Affinity DataKi:  0.370nMAssay Description:Displacement [3H]Arg human recombinant Vasopressin V1a receptorMore data for this Ligand-Target Pair
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
TargetVasopressin V1a receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM85095(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
Affinity DataKi:  0.430nMAssay Description:Displacement [3H]Arg human recombinant Vasopressin V1a receptorMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263671(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)
Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32)
Affinity DataKi:  0.5nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells 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
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
TargetVasopressin V1a receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50319780((2-chloro-5-methoxy-2'-methylbiphenyl-4-yl)((1S,5R...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1ccccc1C
Show InChI InChI=1S/C25H30ClNO2/c1-16-8-6-7-9-18(16)19-11-22(29-5)20(10-21(19)26)23(28)27-15-25(4)13-17(27)12-24(2,3)14-25/h6-11,17H,12-15H2,1-5H3/t17-,25-/m1/s1
Affinity DataKi:  0.540nMAssay Description:Displacement [3H]Arg human recombinant Vasopressin V1a receptorMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50263673(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)
Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31)
Affinity DataKi:  0.600nMAssay Description:Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assayMore data for this Ligand-Target Pair
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