Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50028920 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)) | BDBM50045179
((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...)Show SMILES COC(=O)N1CCN([C@@H](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/t15-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
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Similars
| Article
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280147
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-13(25)23-6-7-24(15(11-23)10-22-5-4-16(26)12-22)19(27)9-14-2-3-17(20)18(21)8-14/h2-3,8,15-16,26H,4-7,9-12H2,1H3/t15?,16-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280145
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H29N3O5S/c1-15(24)22-9-10-23(17(13-22)12-21-8-7-18(25)14-21)20(26)11-16-3-5-19(6-4-16)29(2,27)28/h3-6,17-18,25H,7-14H2,1-2H3/t17?,18-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280149
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H26F3N3O3/c1-14(27)25-8-9-26(17(12-25)11-24-7-6-18(28)13-24)19(29)10-15-2-4-16(5-3-15)20(21,22)23/h2-5,17-18,28H,6-13H2,1H3/t17?,18-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280148
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H25F2N3O3/c1-13(25)23-4-5-24(17(11-23)10-22-3-2-18(26)12-22)19(27)8-14-6-15(20)9-16(21)7-14/h6-7,9,17-18,26H,2-5,8,10-12H2,1H3/t17?,18-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280150
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H26N4O5/c1-14(24)21-8-9-22(17(12-21)11-20-7-6-18(25)13-20)19(26)10-15-2-4-16(5-3-15)23(27)28/h2-5,17-18,25H,6-13H2,1H3/t17?,18-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM83435
(2-[3-[1-[2-(3,4-dichlorophenyl)ethanoyl-methyl-ami...)Show SMILES CN(C(CN1CCCC1)c1cccc(OCC(O)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N2O4/c1-26(22(28)12-16-7-8-19(24)20(25)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)31-15-23(29)30/h4-8,11,13,21H,2-3,9-10,12,14-15H2,1H3,(H,29,30) | PDB
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280142
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C19H26N4O5/c1-14(24)21-7-8-22(17(12-21)11-20-6-5-18(25)13-20)19(26)10-15-3-2-4-16(9-15)23(27)28/h2-4,9,17-18,25H,5-8,10-13H2,1H3/t17?,18-/m0/s1 | PDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280143
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CSc1ccc(CC(=O)N2CCN(CC2CN2CC[C@H](O)C2)C(C)=O)cc1 Show InChI InChI=1S/C20H29N3O3S/c1-15(24)22-9-10-23(17(13-22)12-21-8-7-18(25)14-21)20(26)11-16-3-5-19(27-2)6-4-16/h3-6,17-18,25H,7-14H2,1-2H3/t17?,18-/m0/s1 | PDB
Reactome pathway
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280144
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES COc1cccc(CC(=O)N2CCN(CC2CN2CC[C@H](O)C2)C(C)=O)c1 Show InChI InChI=1S/C20H29N3O4/c1-15(24)22-8-9-23(17(13-22)12-21-7-6-18(25)14-21)20(26)11-16-4-3-5-19(10-16)27-2/h3-5,10,17-18,25H,6-9,11-14H2,1-2H3/t17?,18-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280151
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(cc1)S(C)=O Show InChI InChI=1S/C20H29N3O4S/c1-15(24)22-9-10-23(17(13-22)12-21-8-7-18(25)14-21)20(26)11-16-3-5-19(6-4-16)28(2)27/h3-6,17-18,25H,7-14H2,1-2H3/t17?,18-,28?/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280146
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES COc1ccc(CC(=O)N2CCN(CC2CN2CC[C@H](O)C2)C(C)=O)cc1 Show InChI InChI=1S/C20H29N3O4/c1-15(24)22-9-10-23(17(13-22)12-21-8-7-18(25)14-21)20(26)11-16-3-5-19(27-2)6-4-16/h3-6,17-18,25H,7-14H2,1-2H3/t17?,18-/m0/s1 | PDB
Reactome pathway
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50280141
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C19H27N3O3/c1-15(23)21-9-10-22(19(25)11-16-5-3-2-4-6-16)17(13-21)12-20-8-7-18(24)14-20/h2-6,17-18,24H,7-14H2,1H3/t17?,18-/m0/s1 | PDB
Reactome pathway
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens |
Bioorg Med Chem Lett 2: 1275-1278 (1992)
Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN |
More data for this
Ligand-Target Pair | |
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