Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50015378 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)) | BDBM50007377
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155498
((S)-3-(3,4-Dichloro-phenyl)-1-[(S)-2-((S)-3-hydrox...)Show SMILES O[C@H]1CCN(C[C@@H](N2CC=CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2)C1 |c:9| Show InChI InChI=1S/C24H26Cl2N2O2/c25-21-10-9-18(14-22(21)26)20-8-4-5-12-28(24(20)30)23(17-6-2-1-3-7-17)16-27-13-11-19(29)15-27/h1-7,9-10,14,19-20,23,29H,8,11-13,15-16H2/t19-,20-,23+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155494
(3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)Show SMILES Clc1ccc(cc1Cl)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C24H26Cl2N2O/c25-21-12-11-19(16-22(21)26)20-10-4-5-15-28(24(20)29)23(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,20,23H,6-7,10,13-15,17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155495
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)Show SMILES FC(F)(F)c1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:13| Show InChI InChI=1S/C25H27F3N2O/c26-25(27,28)21-13-11-19(12-14-21)22-10-4-5-17-30(24(22)31)23(18-29-15-6-7-16-29)20-8-2-1-3-9-20/h1-5,8-9,11-14,22-23H,6-7,10,15-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155497
(3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)Show SMILES Clc1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:10| Show InChI InChI=1S/C24H27ClN2O/c25-21-13-11-19(12-14-21)22-10-4-5-17-27(24(22)28)23(18-26-15-6-7-16-26)20-8-2-1-3-9-20/h1-5,8-9,11-14,22-23H,6-7,10,15-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155500
(3-(3,4-Dichloro-phenoxy)-1-(1-phenyl-2-pyrrolidin-...)Show SMILES Clc1ccc(OC2CC=CCN(C(CN3CCCC3)c3ccccc3)C2=O)cc1Cl |c:8| Show InChI InChI=1S/C24H26Cl2N2O2/c25-20-12-11-19(16-21(20)26)30-23-10-4-5-15-28(24(23)29)22(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,22-23H,6-7,10,13-15,17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155496
((S)-3-(3,4-Dichloro-phenyl)-1-((S)-1-phenyl-2-pyrr...)Show SMILES Clc1ccc(cc1Cl)[C@@H]1CC=CCN([C@H](CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C24H26Cl2N2O/c25-21-12-11-19(16-22(21)26)20-10-4-5-15-28(24(20)29)23(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,20,23H,6-7,10,13-15,17H2/t20-,23+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155493
((R)-3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolid...)Show SMILES Clc1ccc(cc1Cl)[C@H]1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C24H26Cl2N2O/c25-21-12-11-19(16-22(21)26)20-10-4-5-15-28(24(20)29)23(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,20,23H,6-7,10,13-15,17H2/t20-,23?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155492
(3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl...)Show SMILES COc1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C25H30N2O2/c1-29-22-14-12-20(13-15-22)23-11-5-6-18-27(25(23)28)24(19-26-16-7-8-17-26)21-9-3-2-4-10-21/h2-6,9-10,12-15,23-24H,7-8,11,16-19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50007377
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Delta opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155490
((R)-3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)Show SMILES Clc1ccc(cc1)[C@H]1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:10| Show InChI InChI=1S/C24H27ClN2O/c25-21-13-11-19(12-14-21)22-10-4-5-17-27(24(22)28)23(18-26-15-6-7-16-26)20-8-2-1-3-9-20/h1-5,8-9,11-14,22-23H,6-7,10,15-18H2/t22-,23?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50007377
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Mu opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50155494
(3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)Show SMILES Clc1ccc(cc1Cl)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C24H26Cl2N2O/c25-21-12-11-19(16-22(21)26)20-10-4-5-15-28(24(20)29)23(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,20,23H,6-7,10,13-15,17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Delta opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155499
((R)-3-(4-Methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-...)Show SMILES COc1ccc(cc1)[C@H]1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C25H30N2O2/c1-29-22-14-12-20(13-15-22)23-11-5-6-18-27(25(23)28)24(19-26-16-7-8-17-26)21-9-3-2-4-10-21/h2-6,9-10,12-15,23-24H,7-8,11,16-19H2,1H3/t23-,24?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50155494
(3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)Show SMILES Clc1ccc(cc1Cl)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C24H26Cl2N2O/c25-21-12-11-19(16-22(21)26)20-10-4-5-15-28(24(20)29)23(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,20,23H,6-7,10,13-15,17H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Mu opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50155495
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)Show SMILES FC(F)(F)c1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:13| Show InChI InChI=1S/C25H27F3N2O/c26-25(27,28)21-13-11-19(12-14-21)22-10-4-5-17-30(24(22)31)23(18-29-15-6-7-16-29)20-8-2-1-3-9-20/h1-5,8-9,11-14,22-23H,6-7,10,15-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Delta opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155491
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-[3-(pyrroli...)Show SMILES O=C1C(CC=CCN1C(CN1CCCC1)c1ccccc1)c1cccc(c1)S(=O)(=O)N1CCCC1 |c:4| Show InChI InChI=1S/C28H35N3O3S/c32-28-26(24-13-10-14-25(21-24)35(33,34)30-18-8-9-19-30)15-4-5-20-31(28)27(22-29-16-6-7-17-29)23-11-2-1-3-12-23/h1-5,10-14,21,26-27H,6-9,15-20,22H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |