Found 36 hits with Last Name = 'lloyd' and Initial = 'je' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50027433
(CHEMBL603370 | GR-89696)Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3 | PDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045192
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3,6-dihydro-...)Show SMILES COC(=O)N1CCN(C(CN2CCC=CC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 |c:13| Show InChI InChI=1S/C20H25Cl2N3O3/c1-28-20(27)24-9-10-25(16(14-24)13-23-7-3-2-4-8-23)19(26)12-15-5-6-17(21)18(22)11-15/h2-3,5-6,11,16H,4,7-10,12-14H2,1H3 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50027433
(CHEMBL603370 | GR-89696)Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3 | PDB
Reactome pathway
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CHEMBL
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PC cid
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| PDB
PubMed
| n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50027433
(CHEMBL603370 | GR-89696)Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3 | PDB
Reactome pathway
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PC cid
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| PDB
PubMed
| n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000293
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)Show SMILES Clc1ccc(CC(=O)N2CCC3(CC2CN2CCCC2)OCCO3)cc1Cl Show InChI InChI=1S/C20H26Cl2N2O3/c21-17-4-3-15(11-18(17)22)12-19(25)24-8-5-20(26-9-10-27-20)13-16(24)14-23-6-1-2-7-23/h3-4,11,16H,1-2,5-10,12-14H2 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045186
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3-methoxycar...)Show SMILES COC(=O)\C=C1\CCN(CC2CN(CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)OC)C1 Show InChI InChI=1S/C22H27Cl2N3O5/c1-31-21(29)11-16-5-6-25(12-16)13-17-14-26(22(30)32-2)7-8-27(17)20(28)10-15-3-4-18(23)19(24)9-15/h3-4,9,11,17H,5-8,10,12-14H2,1-2H3/b16-11- | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045193
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3-oxo-pyrrol...)Show SMILES COC(=O)N1CCN(C(CN2CCC(=O)C2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H23Cl2N3O4/c1-28-19(27)23-6-7-24(14(11-23)10-22-5-4-15(25)12-22)18(26)9-13-2-3-16(20)17(21)8-13/h2-3,8,14H,4-7,9-12H2,1H3 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045196
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3-hydroxy-py...)Show SMILES COC(=O)N1CCN(C(CN2CCC(O)C2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O4/c1-28-19(27)23-6-7-24(14(11-23)10-22-5-4-15(25)12-22)18(26)9-13-2-3-16(20)17(21)8-13/h2-3,8,14-15,25H,4-7,9-12H2,1H3 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045189
(1-{4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin...)Show SMILES Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)C=C)cc1Cl Show InChI InChI=1S/C20H25Cl2N3O2/c1-2-19(26)24-9-10-25(16(14-24)13-23-7-3-4-8-23)20(27)12-15-5-6-17(21)18(22)11-15/h2,5-6,11,16H,1,3-4,7-10,12-14H2 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045198
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-dimethylamino...)Show SMILES COC(=O)N1CCN(C(CN(C)C)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H23Cl2N3O3/c1-20(2)10-13-11-21(17(24)25-3)6-7-22(13)16(23)9-12-4-5-14(18)15(19)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3 | PDB
Reactome pathway
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045184
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-...)Show SMILES CCOC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H27Cl2N3O3/c1-2-28-20(27)24-9-10-25(16(14-24)13-23-7-3-4-8-23)19(26)12-15-5-6-17(21)18(22)11-15/h5-6,11,16H,2-4,7-10,12-14H2,1H3 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045188
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3-methoxycar...)Show SMILES COC(=O)\C=C1/CCN(CC2CN(CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)OC)C1 Show InChI InChI=1S/C22H27Cl2N3O5/c1-31-21(29)11-16-5-6-25(12-16)13-17-14-26(22(30)32-2)7-8-27(17)20(28)10-15-3-4-18(23)19(24)9-15/h3-4,9,11,17H,5-8,10,12-14H2,1-2H3/b16-11+ | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000091
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045181
(1-{4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin...)Show SMILES CCC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H27Cl2N3O2/c1-2-19(26)24-9-10-25(16(14-24)13-23-7-3-4-8-23)20(27)12-15-5-6-17(21)18(22)11-15/h5-6,11,16H,2-4,7-10,12-14H2,1H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045182
(1-(4-Acetyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl...)Show SMILES CC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O2/c1-14(25)23-8-9-24(16(13-23)12-22-6-2-3-7-22)19(26)11-15-4-5-17(20)18(21)10-15/h4-5,10,16H,2-3,6-9,11-13H2,1H3 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
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PC cid
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UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045183
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-...)Show InChI InChI=1S/C18H23Cl2N3O2/c19-16-4-3-14(9-17(16)20)10-18(25)23-8-7-22(13-24)12-15(23)11-21-5-1-2-6-21/h3-4,9,13,15H,1-2,5-8,10-12H2 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50229959
(CHEMBL152663)Show SMILES [H][C@@]12CCC(=C)CC1(CCN(CC1CC1)C2)c1cccc(O)c1 Show InChI InChI=1S/C20H27NO/c1-15-5-8-18-14-21(13-16-6-7-16)10-9-20(18,12-15)17-3-2-4-19(22)11-17/h2-4,11,16,18,22H,1,5-10,12-14H2/t18-,20?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
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KEGG
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50229958
(CHEMBL152720)Show InChI InChI=1S/C17H23NO/c1-13-6-7-15-12-18(2)9-8-17(15,11-13)14-4-3-5-16(19)10-14/h3-5,10,15,19H,1,6-9,11-12H2,2H3/t15-,17?/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045187
(1-{4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin...)Show SMILES CCCC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H29Cl2N3O2/c1-2-5-20(27)25-10-11-26(17(15-25)14-24-8-3-4-9-24)21(28)13-16-6-7-18(22)19(23)12-16/h6-7,12,17H,2-5,8-11,13-15H2,1H3 | PDB
Reactome pathway
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50229964
(CHEMBL150615)Show SMILES [H][C@@]12CC=CCC1(CCN(CC1CCC1)C2)c1cccc(O)c1 |c:3| Show InChI InChI=1S/C20H27NO/c22-19-9-4-8-17(13-19)20-10-2-1-7-18(20)15-21(12-11-20)14-16-5-3-6-16/h1-2,4,8-9,13,16,18,22H,3,5-7,10-12,14-15H2/t18-,20?/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50229957
(CHEMBL153459)Show SMILES [H][C@@]12CC=CCC1(CCN(CC1CC1)C2)c1cccc(O)c1 |c:3| Show InChI InChI=1S/C19H25NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h1-3,5-6,12,15,17,21H,4,7-11,13-14H2/t17-,19?/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50229956
(CHEMBL153616)Show SMILES [H][C@@]12CCC(=O)CC1(CCN(CC1CC1)C2)c1cccc(O)c1 Show InChI InChI=1S/C19H25NO2/c21-17-3-1-2-15(10-17)19-8-9-20(12-14-4-5-14)13-16(19)6-7-18(22)11-19/h1-3,10,14,16,21H,4-9,11-13H2/t16-,19?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
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UniChem
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50229963
(CHEMBL347719)Show SMILES [H][C@@]12CC=CCC1(CCN(C)C2)c1cccc(O)c1 |c:3| Show InChI InChI=1S/C16H21NO/c1-17-10-9-16(8-3-2-5-14(16)12-17)13-6-4-7-15(18)11-13/h2-4,6-7,11,14,18H,5,8-10,12H2,1H3/t14-,16?/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| CHEMBL
MMDB
PC cid
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Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50229960
(CHEMBL357705)Show SMILES [H][C@@]12CCC(=C)CC1(CCN(CC=C)C2)c1cccc(O)c1 Show InChI InChI=1S/C19H25NO/c1-3-10-20-11-9-19(16-5-4-6-18(21)12-16)13-15(2)7-8-17(19)14-20/h3-6,12,17,21H,1-2,7-11,13-14H2/t17-,19?/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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UniChem
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000087
(3-(2-Cyclopropylmethyl-octahydro-isoquinolin-4a-yl...)Show InChI InChI=1S/C19H27NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h3,5-6,12,15,17,21H,1-2,4,7-11,13-14H2/t17-,19?/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid receptor in Guinea pig ileum |
J Med Chem 35: 48-56 (1992)
BindingDB Entry DOI: 10.7270/Q2J105DC |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045199
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-...)Show SMILES CCCOC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H29Cl2N3O3/c1-2-11-29-21(28)25-9-10-26(17(15-25)14-24-7-3-4-8-24)20(27)13-16-5-6-18(22)19(23)12-16/h5-6,12,17H,2-4,7-11,13-15H2,1H3 | PDB
Reactome pathway
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000296
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1 | PDB
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045195
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-...)Show SMILES Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)OCc2ccccc2)cc1Cl Show InChI InChI=1S/C25H29Cl2N3O3/c26-22-9-8-20(14-23(22)27)15-24(31)30-13-12-29(17-21(30)16-28-10-4-5-11-28)25(32)33-18-19-6-2-1-3-7-19/h1-3,6-9,14,21H,4-5,10-13,15-18H2 | PDB
Reactome pathway
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045194
(2-(3,4-Dichloro-phenyl)-1-[4-(2-methoxy-acetyl)-2-...)Show SMILES COCC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H27Cl2N3O3/c1-28-14-20(27)24-8-9-25(16(13-24)12-23-6-2-3-7-23)19(26)11-15-4-5-17(21)18(22)10-15/h4-5,10,16H,2-3,6-9,11-14H2,1H3 | PDB
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| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045185
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-...)Show SMILES Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)Oc2ccccc2)cc1Cl Show InChI InChI=1S/C24H27Cl2N3O3/c25-21-9-8-18(14-22(21)26)15-23(30)29-13-12-28(17-19(29)16-27-10-4-5-11-27)24(31)32-20-6-2-1-3-7-20/h1-3,6-9,14,19H,4-5,10-13,15-17H2 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50027433
(CHEMBL603370 | GR-89696)Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045191
(2-(3,4-Dichloro-phenyl)-1-(4-phenylacetyl-2-pyrrol...)Show SMILES Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)Cc2ccccc2)cc1Cl Show InChI InChI=1S/C25H29Cl2N3O2/c26-22-9-8-20(14-23(22)27)16-25(32)30-13-12-29(18-21(30)17-28-10-4-5-11-28)24(31)15-19-6-2-1-3-7-19/h1-3,6-9,14,21H,4-5,10-13,15-18H2 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045197
(1-(4-Benzoyl-2-pyrrolidin-1-ylmethyl-piperazin-1-y...)Show SMILES Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C24H27Cl2N3O2/c25-21-9-8-18(14-22(21)26)15-23(30)29-13-12-28(24(31)19-6-2-1-3-7-19)17-20(29)16-27-10-4-5-11-27/h1-3,6-9,14,20H,4-5,10-13,15-17H2 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50027433
(CHEMBL603370 | GR-89696)Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against delta specific tissue of hamster vas deferens |
J Med Chem 36: 2075-83 (1993)
BindingDB Entry DOI: 10.7270/Q2D50NKJ |
More data for this
Ligand-Target Pair | |
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