Found 15 hits of Enzyme Inhibition Constant Data 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)) | BDBM86549
(CAS_213055 | NSC_213055 | TRK-820)Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86549
(CAS_213055 | NSC_213055 | TRK-820)Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.0750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86547
(CAS_135349 | NSC_135349 | U50,488H)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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86549
(CAS_213055 | NSC_213055 | TRK-820)Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM86546
(CAS_88373-73-3 | DPDPE | NSC_104787)Show SMILES CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86548
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1 Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86549
(CAS_213055 | NSC_213055 | TRK-820)Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86548
(CAS_83729-01-5 | NSC_128563 | Salvinorin A)Show SMILES COC(=O)C1CC(OC(C)=O)C(=O)C2C1(C)CCC1C(=O)OC(CC21C)c1ccoc1 Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86253
(CAS_100929-53-1 | DAMGO | NSC_104742 | US10836728,...)Show SMILES CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)C(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86547
(CAS_135349 | NSC_135349 | U50,488H)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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50092521
(3-((3-Fluoro-phenyl)-{[(3-fluoro-phenyl)-methoxyca...)Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(F)c1)c1cccc(F)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8| Show InChI InChI=1S/C25H26F2N2O5/c1-28-13-24(22(31)33-3)19(15-7-5-9-17(26)11-15)29(2)20(16-8-6-10-18(27)12-16)25(14-28,21(24)30)23(32)34-4/h5-12,19-20H,13-14H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 73.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM86549
(CAS_213055 | NSC_213055 | TRK-820)Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM86549
(CAS_213055 | NSC_213055 | TRK-820)Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50092521
(3-((3-Fluoro-phenyl)-{[(3-fluoro-phenyl)-methoxyca...)Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(F)c1)c1cccc(F)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8| Show InChI InChI=1S/C25H26F2N2O5/c1-28-13-24(22(31)33-3)19(15-7-5-9-17(26)11-15)29(2)20(16-8-6-10-18(27)12-16)25(14-28,21(24)30)23(32)34-4/h5-12,19-20H,13-14H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 248 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM86549
(CAS_213055 | NSC_213055 | TRK-820)Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)C(=O)C=Cc1ccoc1 |w:28.33,TLB:4:5:8.9.25:18.19.20,6:5:8.9.25:18.19.20| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 289 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 312: 220-30 (2005)
Article DOI: 10.1124/jpet.104.073668 BindingDB Entry DOI: 10.7270/Q26T0K6G |
More data for this Ligand-Target Pair | |