Found 29 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 |
|---|
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86446
(14-O-methyloxymorphone)Show SMILES CCOC12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:20:12:3:15.18.17,10:11:3:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-3-23-19-7-6-13(22)17-18(19)8-9-20(2)14(19)10-11-4-5-12(21)16(24-17)15(11)18/h4-5,14,17,21H,3,6-10H2,1-2H3/t14?,17-,18-,19?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86261
(14-methoxymetopon | CAS_131575-03-6 | NSC_125489)Show SMILES COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86444
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)Show SMILES COC12CC[C@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21| Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13+,15?,18+,20+,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86262
(HS-378 | HS378)Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:30:19:3:28.27.22| Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86442
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20| Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86448
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20| Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86447
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)Show SMILES COC12CC[C@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27| Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19+,21?,24-,26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86443
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)Show SMILES COC12CC[C@@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27| Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19-,21?,24+,26+,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86445
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21| Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86443
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)Show SMILES COC12CC[C@@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27| Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19-,21?,24+,26+,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86446
(14-O-methyloxymorphone)Show SMILES CCOC12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:20:12:3:15.18.17,10:11:3:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-3-23-19-7-6-13(22)17-18(19)8-9-20(2)14(19)10-11-4-5-12(21)16(24-17)15(11)18/h4-5,14,17,21H,3,6-10H2,1-2H3/t14?,17-,18-,19?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86258
(CAS_23552-18-3 | Morphine | NSC_5980)Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 6.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86445
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21| Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86442
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20| Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86446
(14-O-methyloxymorphone)Show SMILES CCOC12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:20:12:3:15.18.17,10:11:3:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-3-23-19-7-6-13(22)17-18(19)8-9-20(2)14(19)10-11-4-5-12(21)16(24-17)15(11)18/h4-5,14,17,21H,3,6-10H2,1-2H3/t14?,17-,18-,19?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86261
(14-methoxymetopon | CAS_131575-03-6 | NSC_125489)Show SMILES COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86448
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20| Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86261
(14-methoxymetopon | CAS_131575-03-6 | NSC_125489)Show SMILES COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86444
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)Show SMILES COC12CC[C@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21| Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13+,15?,18+,20+,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86447
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)Show SMILES COC12CC[C@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27| Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19+,21?,24-,26-,27?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86448
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20| Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86442
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20| Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86445
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21| Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86258
(CAS_23552-18-3 | Morphine | NSC_5980)Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86262
(HS-378 | HS378)Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:30:19:3:28.27.22| Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86444
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)Show SMILES COC12CC[C@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21| Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13+,15?,18+,20+,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86443
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)Show SMILES COC12CC[C@@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27| Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19-,21?,24+,26+,27?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86258
(CAS_23552-18-3 | Morphine | NSC_5980)Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86262
(HS-378 | HS378)Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:30:19:3:28.27.22| Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by PDSP Ki Database
| |
Eur J Pharmacol 483: 301-8 (2004)
Article DOI: 10.1016/j.ejphar.2003.10.049
BindingDB Entry DOI: 10.7270/Q2TQ603X |
More data for this
Ligand-Target Pair | |
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