Found 53 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)) | BDBM102398
(US8536192, I-39)Show SMILES CN(C)c1ccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:11:12:16.34.15:29.28.27,THB:13:12:16.34.15:29.28.27| Show InChI InChI=1S/C29H33N3O5/c1-31(2)19-8-6-18(7-9-19)30-27(35)20-14-29(36)22-13-17-5-10-21(33)25-23(17)28(29,26(37-25)24(20)34)11-12-32(22)15-16-3-4-16/h5-10,16,20,22,26,33,36H,3-4,11-15H2,1-2H3,(H,30,35)/t20?,22-,26+,28+,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.330 | -54.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102422
(US8536192, I-289)Show SMILES CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31| Show InChI InChI=1S/C30H34FN3O6S/c1-16(2)32-28(36)21-14-30(37)23-13-18-5-10-22(35)26-24(18)29(30,11-12-34(23)15-17-3-4-17)27(40-26)25(21)33-41(38,39)20-8-6-19(31)7-9-20/h5-10,16-17,23,27,33,35,37H,3-4,11-15H2,1-2H3,(H,32,36)/t23-,27+,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.470 | -53.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102415
(US8536192, I-244)Show SMILES CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31| Show InChI InChI=1S/C30H34ClN3O6S/c1-16(2)32-28(36)21-14-30(37)23-13-18-5-10-22(35)26-24(18)29(30,11-12-34(23)15-17-3-4-17)27(40-26)25(21)33-41(38,39)20-8-6-19(31)7-9-20/h5-10,16-17,23,27,33,35,37H,3-4,11-15H2,1-2H3,(H,32,36)/t23-,27+,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.560 | -52.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102416
(US8536192, I-267)Show SMILES Cc1ccc2nc(=O)c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3n2c1)[C@]4(CCN5CC1CC1)c67 |r,TLB:9:10:33.14.13:26.28.27,THB:11:10:33.14.13:26.28.27| Show InChI InChI=1S/C27H27N3O4/c1-14-2-7-20-28-25(32)17-11-27(33)19-10-16-5-6-18(31)23-21(16)26(27,8-9-29(19)13-15-3-4-15)24(34-23)22(17)30(20)12-14/h2,5-7,12,15,19,24,31,33H,3-4,8-11,13H2,1H3/t19-,24+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.840 | -51.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102418
(US8536192, I-284)Show SMILES CC(C)(NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45)c1nc(no1)-c1ccccc1 |r,TLB:7:8:30.12.11:23.25.24,THB:9:8:30.12.11:23.25.24| Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,20,22,26,37,40H,8-9,12-16H2,1-2H3,(H,34,39)/t20?,22-,26+,31+,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| US Patent
| 0.910 | -51.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102418
(US8536192, I-284)Show SMILES CC(C)(NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45)c1nc(no1)-c1ccccc1 |r,TLB:7:8:30.12.11:23.25.24,THB:9:8:30.12.11:23.25.24| Show InChI InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,20,22,26,37,40H,8-9,12-16H2,1-2H3,(H,34,39)/t20?,22-,26+,31+,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| US Patent
| 1.13 | -51.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102412
(US8536192, I-229)Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:19:20:42.24.23:35.37.36,THB:21:20:42.24.23:35.37.36| Show InChI InChI=1S/C32H39N3O8S/c1-4-35(5-2)44(40,41)20-9-11-24(42-3)22(15-20)33-30(38)21-16-32(39)25-14-19-8-10-23(36)28-26(19)31(32,29(43-28)27(21)37)12-13-34(25)17-18-6-7-18/h8-11,15,18,21,25,29,36,39H,4-7,12-14,16-17H2,1-3H3,(H,33,38)/t21?,25-,29+,31+,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.30 | -50.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102406
(US8536192, I-135)Show SMILES COC(=O)C1(CC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:11,TLB:21:20:28:16.17.18| Show InChI InChI=1S/C26H30N2O7/c1-34-23(32)24(6-7-24)27-22(31)15-11-26(33)17-10-14-4-5-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-2-3-13/h4-5,13,17,21,29-30,33H,2-3,6-12H2,1H3,(H,27,31)/t17-,21+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.58 | -50.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102403
(US8536192, I-123)Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:15,TLB:25:24:32:20.21.22| Show InChI InChI=1S/C28H30N2O8S/c1-37-17-5-7-18(8-6-17)39(35,36)29-26(33)19-13-28(34)21-12-16-4-9-20(31)24-22(16)27(28,25(38-24)23(19)32)10-11-30(21)14-15-2-3-15/h4-9,15,21,25,31-32,34H,2-3,10-14H2,1H3,(H,29,33)/t21-,25+,27+,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.68 | -50.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102401
(US8536192, I-118)Show SMILES COc1ccc(NC(=O)C2=C(O)[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)C2)ccc4O)cn1 |r,c:9,TLB:20:19:27:15.16.17| Show InChI InChI=1S/C27H29N3O6/c1-35-20-7-5-16(12-28-20)29-25(33)17-11-27(34)19-10-15-4-6-18(31)23-21(15)26(27,24(36-23)22(17)32)8-9-30(19)13-14-2-3-14/h4-7,12,14,19,24,31-32,34H,2-3,8-11,13H2,1H3,(H,29,33)/t19-,24+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.29 | -49.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102420
(US8536192, I-286)Show SMILES COCC(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27| Show InChI InChI=1S/C26H34N2O6/c1-24(2,13-33-3)27-23(31)16-11-26(32)18-10-15-6-7-17(29)21-19(15)25(26,22(34-21)20(16)30)8-9-28(18)12-14-4-5-14/h6-7,14,16,18,22,29,32H,4-5,8-13H2,1-3H3,(H,27,31)/t16?,18-,22+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.46 | -49.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102402
(US8536192, I-122)Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)NS(=O)(=O)c1cccc(Cl)c1 |r,t:1,THB:20:19:4:24.8.7| Show InChI InChI=1S/C27H27ClN2O7S/c28-16-2-1-3-17(11-16)38(35,36)29-25(33)18-12-27(34)20-10-15-6-7-19(31)23-21(15)26(27,24(37-23)22(18)32)8-9-30(20)13-14-4-5-14/h1-3,6-7,11,14,20,24,31-32,34H,4-5,8-10,12-13H2,(H,29,33)/t20-,24+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.70 | -48.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102409
(US8536192, I-188)Show SMILES OC(=O)c1cccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C28H28N2O7/c31-19-7-6-15-11-20-28(36)12-18(25(33)29-17-3-1-2-16(10-17)26(34)35)22(32)24-27(28,21(15)23(19)37-24)8-9-30(20)13-14-4-5-14/h1-3,6-7,10,14,18,20,24,31,36H,4-5,8-9,11-13H2,(H,29,33)(H,34,35)/t18?,20-,24+,27+,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.01 | -48.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102417
(US8536192, I-283)Show SMILES COCC1(CC1)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27| Show InChI InChI=1S/C26H32N2O6/c1-33-13-24(6-7-24)27-23(31)16-11-26(32)18-10-15-4-5-17(29)21-19(15)25(26,22(34-21)20(16)30)8-9-28(18)12-14-2-3-14/h4-5,14,16,18,22,29,32H,2-3,6-13H2,1H3,(H,27,31)/t16?,18-,22+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.73 | -48.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102404
(US8536192, I-124)Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)NS(=O)(=O)c1ccc(F)cc1 |r,t:1,THB:20:19:4:24.8.7| Show InChI InChI=1S/C27H27FN2O7S/c28-16-4-6-17(7-5-16)38(35,36)29-25(33)18-12-27(34)20-11-15-3-8-19(31)23-21(15)26(27,24(37-23)22(18)32)9-10-30(20)13-14-1-2-14/h3-8,14,20,24,31-32,34H,1-2,9-13H2,(H,29,33)/t20-,24+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.90 | -48.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102399
(US8536192, I-49)Show SMILES COC(=O)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:11:12:16.34.15:29.28.27,THB:13:12:16.34.15:29.28.27| Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,15,17,21,29,33H,4-5,8-12H2,1-3H3,(H,27,31)/t15?,17-,21+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.99 | -47.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102395
(US8536192, I-10)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1ccccc1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13| Show InChI InChI=1S/C27H28N2O5/c30-19-9-8-16-12-20-27(33)13-18(25(32)28-17-4-2-1-3-5-17)22(31)24-26(27,21(16)23(19)34-24)10-11-29(20)14-15-6-7-15/h1-5,8-9,15,18,20,24,30,33H,6-7,10-14H2,(H,28,32)/t18?,20-,24+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.05 | -47.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102405
(US8536192, I-133)Show SMILES COC(=O)C1(CCCC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:13,TLB:23:22:30:18.19.20| Show InChI InChI=1S/C28H34N2O7/c1-36-25(34)26(8-2-3-9-26)29-24(33)17-13-28(35)19-12-16-6-7-18(31)22-20(16)27(28,23(37-22)21(17)32)10-11-30(19)14-15-4-5-15/h6-7,15,19,23,31-32,35H,2-5,8-14H2,1H3,(H,29,33)/t19-,23+,27+,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.99 | -47.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102396
(US8536192, I-13)Show SMILES CN(Cc1ccccc1)C(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:17.35.16:30.29.28,THB:14:13:17.35.16:30.29.28| Show InChI InChI=1S/C29H32N2O5/c1-30(15-17-5-3-2-4-6-17)27(34)20-14-29(35)22-13-19-9-10-21(32)25-23(19)28(29,26(36-25)24(20)33)11-12-31(22)16-18-7-8-18/h2-6,9-10,18,20,22,26,32,35H,7-8,11-16H2,1H3/t20?,22-,26+,28+,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.02 | -47.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102393
(US8536192, I-4)Show SMILES CC(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:7:8:12.30.11:25.24.23,THB:9:8:12.30.11:25.24.23| Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,15,17,21,27,30H,3-4,7-11H2,1-2H3,(H,25,29)/t15?,17-,21+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.18 | -47.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102414
(US8536192, I-243)Show SMILES COc1cc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)ncn1 |r,TLB:9:10:32.14.13:25.27.26,THB:11:10:32.14.13:25.27.26| Show InChI InChI=1S/C26H28N4O6/c1-35-19-9-18(27-12-28-19)29-24(33)15-10-26(34)17-8-14-4-5-16(31)22-20(14)25(26,23(36-22)21(15)32)6-7-30(17)11-13-2-3-13/h4-5,9,12-13,15,17,23,31,34H,2-3,6-8,10-11H2,1H3,(H,27,28,29,33)/t15?,17-,23+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.20 | -47.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102400
(US8536192, I-92)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1cccnc1 |r,TLB:22:23:18.4.5:7.13.12,THB:24:23:18.4.5:7.13.12| Show InChI InChI=1S/C26H27N3O5/c30-18-6-5-15-10-19-26(33)11-17(24(32)28-16-2-1-8-27-12-16)21(31)23-25(26,20(15)22(18)34-23)7-9-29(19)13-14-3-4-14/h1-2,5-6,8,12,14,17,19,23,30,33H,3-4,7,9-11,13H2,(H,28,32)/t17?,19-,23+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.23 | -47.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102414
(US8536192, I-243)Show SMILES COc1cc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)ncn1 |r,TLB:9:10:32.14.13:25.27.26,THB:11:10:32.14.13:25.27.26| Show InChI InChI=1S/C26H28N4O6/c1-35-19-9-18(27-12-28-19)29-24(33)15-10-26(34)17-8-14-4-5-16(31)22-20(14)25(26,23(36-22)21(15)32)6-7-30(17)11-13-2-3-13/h4-5,9,12-13,15,17,23,31,34H,2-3,6-8,10-11H2,1H3,(H,27,28,29,33)/t15?,17-,23+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.28 | -47.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102397
(US8536192, I-30)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)NCCOc1ccccc1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13| Show InChI InChI=1S/C29H32N2O6/c32-21-9-8-18-14-22-29(35)15-20(27(34)30-11-13-36-19-4-2-1-3-5-19)24(33)26-28(29,23(18)25(21)37-26)10-12-31(22)16-17-6-7-17/h1-5,8-9,17,20,22,26,32,35H,6-7,10-16H2,(H,30,34)/t20?,22-,26+,28+,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.34 | -47.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102421
(US8536192, I-288)Show SMILES COCC(C)(COC)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C27H36N2O7/c1-25(13-34-2,14-35-3)28-24(32)17-11-27(33)19-10-16-6-7-18(30)22-20(16)26(27,23(36-22)21(17)31)8-9-29(19)12-15-4-5-15/h6-7,15,17,19,23,30,33H,4-5,8-14H2,1-3H3,(H,28,32)/t17?,19-,23+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.36 | -47.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102419
(US8536192, I-285)Show SMILES Cc1noc(n1)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30| Show InChI InChI=1S/C27H32N4O6/c1-13-28-24(37-30-13)25(2,3)29-23(34)16-11-27(35)18-10-15-6-7-17(32)21-19(15)26(27,22(36-21)20(16)33)8-9-31(18)12-14-4-5-14/h6-7,14,16,18,22,32,35H,4-5,8-12H2,1-3H3,(H,29,34)/t16?,18-,22+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.77 | -47.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102411
(US8536192, I-208)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1ccc(cn1)[N+]([O-])=O |r,TLB:22:23:18.4.5:13.7.12,THB:24:23:18.4.5:13.7.12| Show InChI InChI=1S/C26H26N4O7/c31-17-5-3-14-9-18-26(34)10-16(24(33)28-19-6-4-15(11-27-19)30(35)36)21(32)23-25(26,20(14)22(17)37-23)7-8-29(18)12-13-1-2-13/h3-6,11,13,16,18,23,31,34H,1-2,7-10,12H2,(H,27,28,33)/t16?,18-,23+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.89 | -47.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102412
(US8536192, I-229)Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:19:20:42.24.23:35.37.36,THB:21:20:42.24.23:35.37.36| Show InChI InChI=1S/C32H39N3O8S/c1-4-35(5-2)44(40,41)20-9-11-24(42-3)22(15-20)33-30(38)21-16-32(39)25-14-19-8-10-23(36)28-26(19)31(32,29(43-28)27(21)37)12-13-34(25)17-18-6-7-18/h8-11,15,18,21,25,29,36,39H,4-7,12-14,16-17H2,1-3H3,(H,33,38)/t21?,25-,29+,31+,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.90 | -47.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102413
(US8536192, I-240)Show SMILES Cc1cc(=O)[nH]c2cc(NC(=O)C3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](C3=O)[C@]4(CCN5CC3CC3)c67)ccc12 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30| Show InChI InChI=1S/C31H31N3O6/c1-15-10-24(36)33-21-12-18(5-6-19(15)21)32-29(38)20-13-31(39)23-11-17-4-7-22(35)27-25(17)30(31,28(40-27)26(20)37)8-9-34(23)14-16-2-3-16/h4-7,10,12,16,20,23,28,35,39H,2-3,8-9,11,13-14H2,1H3,(H,32,38)(H,33,36)/t20?,23-,28+,30+,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 6.85 | -46.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102419
(US8536192, I-285)Show SMILES Cc1noc(n1)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30| Show InChI InChI=1S/C27H32N4O6/c1-13-28-24(37-30-13)25(2,3)29-23(34)16-11-27(35)18-10-15-6-7-17(32)21-19(15)26(27,22(36-21)20(16)33)8-9-31(18)12-14-4-5-14/h6-7,14,16,18,22,32,35H,4-5,8-12H2,1-3H3,(H,29,34)/t16?,18-,22+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 7.29 | -46.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102393
(US8536192, I-4)Show SMILES CC(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:7:8:12.30.11:25.24.23,THB:9:8:12.30.11:25.24.23| Show InChI InChI=1S/C24H30N2O5/c1-12(2)25-22(29)15-10-24(30)17-9-14-5-6-16(27)20-18(14)23(24,21(31-20)19(15)28)7-8-26(17)11-13-3-4-13/h5-6,12-13,15,17,21,27,30H,3-4,7-11H2,1-2H3,(H,25,29)/t15?,17-,21+,23+,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 7.38 | -46.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102394
(US8536192, I-7)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)N1CCCC1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13| Show InChI InChI=1S/C25H30N2O5/c28-17-6-5-15-11-18-25(31)12-16(23(30)26-8-1-2-9-26)20(29)22-24(25,19(15)21(17)32-22)7-10-27(18)13-14-3-4-14/h5-6,14,16,18,22,28,31H,1-4,7-13H2/t16?,18-,22+,24+,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 7.40 | -46.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102392
(US8536192, I-3)Show SMILES CCCCNC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:8:9:13.31.12:26.25.24,THB:10:9:13.31.12:26.25.24| Show InChI InChI=1S/C25H32N2O5/c1-2-3-9-26-23(30)16-12-25(31)18-11-15-6-7-17(28)21-19(15)24(25,22(32-21)20(16)29)8-10-27(18)13-14-4-5-14/h6-7,14,16,18,22,28,31H,2-5,8-13H2,1H3,(H,26,30)/t16?,18-,22+,24+,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 8.76 | -46.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102410
(US8536192, I-199)Show SMILES COC(=O)C1(CCC1)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C27H32N2O7/c1-35-24(33)25(7-2-8-25)28-23(32)16-12-27(34)18-11-15-5-6-17(30)21-19(15)26(27,22(36-21)20(16)31)9-10-29(18)13-14-3-4-14/h5-6,14,16,18,22,30,34H,2-4,7-13H2,1H3,(H,28,32)/t16?,18-,22+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 9.45 | -45.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102406
(US8536192, I-135)Show SMILES COC(=O)C1(CC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:11,TLB:21:20:28:16.17.18| Show InChI InChI=1S/C26H30N2O7/c1-34-23(32)24(6-7-24)27-22(31)15-11-26(33)17-10-14-4-5-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-2-3-13/h4-5,13,17,21,29-30,33H,2-3,6-12H2,1H3,(H,27,31)/t17-,21+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 9.76 | -45.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102405
(US8536192, I-133)Show SMILES COC(=O)C1(CCCC1)NC(=O)C1=C(O)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:13,TLB:23:22:30:18.19.20| Show InChI InChI=1S/C28H34N2O7/c1-36-25(34)26(8-2-3-9-26)29-24(33)17-13-28(35)19-12-16-6-7-18(31)22-20(16)27(28,23(37-22)21(17)32)10-11-30(19)14-15-4-5-15/h6-7,15,19,23,31-32,35H,2-5,8-14H2,1H3,(H,29,33)/t19-,23+,27+,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 9.85 | -45.7 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102415
(US8536192, I-244)Show SMILES CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31| Show InChI InChI=1S/C30H34ClN3O6S/c1-16(2)32-28(36)21-14-30(37)23-13-18-5-10-22(35)26-24(18)29(30,11-12-34(23)15-17-3-4-17)27(40-26)25(21)33-41(38,39)20-8-6-19(31)7-9-20/h5-10,16-17,23,27,33,35,37H,3-4,11-15H2,1-2H3,(H,32,36)/t23-,27+,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 11.0 | -45.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102413
(US8536192, I-240)Show SMILES Cc1cc(=O)[nH]c2cc(NC(=O)C3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](C3=O)[C@]4(CCN5CC3CC3)c67)ccc12 |r,TLB:13:14:36.18.17:29.31.30,THB:15:14:36.18.17:29.31.30| Show InChI InChI=1S/C31H31N3O6/c1-15-10-24(36)33-21-12-18(5-6-19(15)21)32-29(38)20-13-31(39)23-11-17-4-7-22(35)27-25(17)30(31,28(40-27)26(20)37)8-9-34(23)14-16-2-3-16/h4-7,10,12,16,20,23,28,35,39H,2-3,8-9,11,13-14H2,1H3,(H,32,38)(H,33,36)/t20?,23-,28+,30+,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 11.5 | -45.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102410
(US8536192, I-199)Show SMILES COC(=O)C1(CCC1)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C27H32N2O7/c1-35-24(33)25(7-2-8-25)28-23(32)16-12-27(34)18-11-15-5-6-17(30)21-19(15)26(27,22(36-21)20(16)31)9-10-29(18)13-14-3-4-14/h5-6,14,16,18,22,30,34H,2-4,7-13H2,1H3,(H,28,32)/t16?,18-,22+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 12.8 | -45.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102422
(US8536192, I-289)Show SMILES CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]24[C@@]5(O)C1)ccc3O |r,c:6,TLB:35:34:22.23.24:32.26.31,THB:36:34:22.23.24:32.26.31| Show InChI InChI=1S/C30H34FN3O6S/c1-16(2)32-28(36)21-14-30(37)23-13-18-5-10-22(35)26-24(18)29(30,11-12-34(23)15-17-3-4-17)27(40-26)25(21)33-41(38,39)20-8-6-19(31)7-9-20/h5-10,16-17,23,27,33,35,37H,3-4,11-15H2,1-2H3,(H,32,36)/t23-,27+,29+,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 12.9 | -45.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102411
(US8536192, I-208)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1ccc(cn1)[N+]([O-])=O |r,TLB:22:23:18.4.5:13.7.12,THB:24:23:18.4.5:13.7.12| Show InChI InChI=1S/C26H26N4O7/c31-17-5-3-14-9-18-26(34)10-16(24(33)28-19-6-4-15(11-27-19)30(35)36)21(32)23-25(26,20(14)22(17)37-23)7-8-29(18)12-13-1-2-13/h3-6,11,13,16,18,23,31,34H,1-2,7-10,12H2,(H,27,28,33)/t16?,18-,23+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 13.3 | -45.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102408
(US8536192, I-145)Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)N[C@H]1CCOC1=O |r,t:1,THB:20:19:4:24.8.7| Show InChI InChI=1S/C25H28N2O7/c28-16-4-3-13-9-17-25(32)10-14(22(30)26-15-5-8-33-23(15)31)19(29)21-24(25,18(13)20(16)34-21)6-7-27(17)11-12-1-2-12/h3-4,12,15,17,21,28-29,32H,1-2,5-11H2,(H,26,30)/t15-,17+,21-,24-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| 13.9 | -44.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102420
(US8536192, I-286)Show SMILES COCC(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27| Show InChI InChI=1S/C26H34N2O6/c1-24(2,13-33-3)27-23(31)16-11-26(32)18-10-15-6-7-17(29)21-19(15)25(26,22(34-21)20(16)30)8-9-28(18)12-14-4-5-14/h6-7,14,16,18,22,29,32H,4-5,8-13H2,1-3H3,(H,27,31)/t16?,18-,22+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 14.0 | -44.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102421
(US8536192, I-288)Show SMILES COCC(C)(COC)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C27H36N2O7/c1-25(13-34-2,14-35-3)28-24(32)17-11-27(33)19-10-16-6-7-18(30)22-20(16)26(27,23(36-22)21(17)31)8-9-29(19)12-15-4-5-15/h6-7,15,17,19,23,30,33H,4-5,8-14H2,1-3H3,(H,28,32)/t17?,19-,23+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 14.4 | -44.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102407
(US8536192, I-138)Show SMILES Cc1cc(NC(=O)C2=C(O)[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)C2)ccc4O)on1 |r,c:7,TLB:18:17:25:13.14.15| Show InChI InChI=1S/C25H27N3O6/c1-12-8-18(34-27-12)26-23(31)15-10-25(32)17-9-14-4-5-16(29)21-19(14)24(25,22(33-21)20(15)30)6-7-28(17)11-13-2-3-13/h4-5,8,13,17,22,29-30,32H,2-3,6-7,9-11H2,1H3,(H,26,31)/t17-,22+,24+,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 15.5 | -44.6 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102399
(US8536192, I-49)Show SMILES COC(=O)C(C)(C)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:11:12:16.34.15:29.28.27,THB:13:12:16.34.15:29.28.27| Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,15,17,21,29,33H,4-5,8-12H2,1-3H3,(H,27,31)/t15?,17-,21+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 16.5 | -44.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102409
(US8536192, I-188)Show SMILES OC(=O)c1cccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)c1 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C28H28N2O7/c31-19-7-6-15-11-20-28(36)12-18(25(33)29-17-3-1-2-16(10-17)26(34)35)22(32)24-27(28,21(15)23(19)37-24)8-9-30(20)13-14-4-5-14/h1-3,6-7,10,14,18,20,24,31,36H,4-5,8-9,11-13H2,(H,29,33)(H,34,35)/t18?,20-,24+,27+,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 17.3 | -44.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102395
(US8536192, I-10)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)C(=O)Nc1ccccc1 |r,TLB:22:23:4.18.5:7.12.13,THB:24:23:4.18.5:7.12.13| Show InChI InChI=1S/C27H28N2O5/c30-19-9-8-16-12-20-27(33)13-18(25(32)28-17-4-2-1-3-5-17)22(31)24-26(27,21(16)23(19)34-24)10-11-29(20)14-15-6-7-15/h1-5,8-9,15,18,20,24,30,33H,6-7,10-14H2,(H,28,32)/t18?,20-,24+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 19.9 | -44.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102417
(US8536192, I-283)Show SMILES COCC1(CC1)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:10:11:33.15.14:26.28.27,THB:12:11:33.15.14:26.28.27| Show InChI InChI=1S/C26H32N2O6/c1-33-13-24(6-7-24)27-23(31)16-11-26(32)18-10-15-4-5-17(29)21-19(15)25(26,22(34-21)20(16)30)8-9-28(18)12-14-2-3-14/h4-5,14,16,18,22,29,32H,2-3,6-13H2,1H3,(H,27,31)/t16?,18-,22+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 20.1 | -43.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102401
(US8536192, I-118)Show SMILES COc1ccc(NC(=O)C2=C(O)[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)C2)ccc4O)cn1 |r,c:9,TLB:20:19:27:15.16.17| Show InChI InChI=1S/C27H29N3O6/c1-35-20-7-5-16(12-28-20)29-25(33)17-11-27(34)19-10-15-4-6-18(31)23-21(15)26(27,24(36-23)22(17)32)8-9-30(19)13-14-2-3-14/h4-7,12,14,19,24,31-32,34H,2-3,8-11,13H2,1H3,(H,29,33)/t19-,24+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 27.6 | -43.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102408
(US8536192, I-145)Show SMILES OC1=C(C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)N[C@H]1CCOC1=O |r,t:1,THB:20:19:4:24.8.7| Show InChI InChI=1S/C25H28N2O7/c28-16-4-3-13-9-17-25(32)10-14(22(30)26-15-5-8-33-23(15)31)19(29)21-24(25,18(13)20(16)34-21)6-7-27(17)11-12-1-2-12/h3-4,12,15,17,21,28-29,32H,1-2,5-11H2,(H,26,30)/t15-,17+,21-,24-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| 28.1 | -43.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102416
(US8536192, I-267)Show SMILES Cc1ccc2nc(=O)c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3n2c1)[C@]4(CCN5CC1CC1)c67 |r,TLB:9:10:33.14.13:26.28.27,THB:11:10:33.14.13:26.28.27| Show InChI InChI=1S/C27H27N3O4/c1-14-2-7-20-28-25(32)17-11-27(33)19-10-16-5-6-18(31)23-21(16)26(27,8-9-29(19)13-15-3-4-15)24(34-23)22(17)30(20)12-14/h2,5-7,12,15,19,24,31,33H,3-4,8-11,13H2,1H3/t19-,24+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 41.5 | -42.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM102398
(US8536192, I-39)Show SMILES CN(C)c1ccc(NC(=O)C2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](C2=O)[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:11:12:16.34.15:29.28.27,THB:13:12:16.34.15:29.28.27| Show InChI InChI=1S/C29H33N3O5/c1-31(2)19-8-6-18(7-9-19)30-27(35)20-14-29(36)22-13-17-5-10-21(33)25-23(17)28(29,26(37-25)24(20)34)11-12-32(22)15-16-3-4-16/h5-10,16,20,22,26,33,36H,3-4,11-15H2,1-2H3,(H,30,35)/t20?,22-,26+,28+,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 41.8 | -42.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Shionogi & Co. Ltd.
US Patent
| Assay Description
Binding assay of opioid receptor. |
US Patent US8536192 (2013)
BindingDB Entry DOI: 10.7270/Q24M935Z |
More data for this
Ligand-Target Pair | |
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