Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50036142 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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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
UniProtKB/SwissProt
B.MOAD
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
KEGG
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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| 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
KEGG
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
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Similars
| 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
B.MOAD
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)) | 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
UniProtKB/SwissProt
B.MOAD
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
UniProtKB/SwissProt
B.MOAD
DrugBank
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
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 | |
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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
B.MOAD
DrugBank
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 | |
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
UniProtKB/SwissProt
B.MOAD
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 | |
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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 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 | |
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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 | |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 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 | |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 | |
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