Found 28 hits with Last Name = 'brodin' and Initial = 'b' 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)) | BDBM50010488
(CHEMBL3264361)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010487
(CHEMBL3264360)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010486
(CHEMBL3264359)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.222 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010489
(CHEMBL3264362)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.286 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50016867
((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...)Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010488
(CHEMBL3264361)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010487
(CHEMBL3264360)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010486
(CHEMBL3264359)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010489
(CHEMBL3264362)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010484
(CHEMBL3264358)Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C39H58N12O10/c40-15-5-4-9-27(34(42)56)46-37(59)29(18-22-7-2-1-3-8-22)48-36(58)28(10-6-16-45-39(43)44)47-35(57)26(41)17-23-11-13-25(14-12-23)60-21-24-19-51(50-49-24)38-33(55)32(54)31(53)30(20-52)61-38/h1-3,7-8,11-14,19,26-33,38,52-55H,4-6,9-10,15-18,20-21,40-41H2,(H2,42,56)(H,46,59)(H,47,57)(H,48,58)(H4,43,44,45)/t26-,27-,28+,29-,30+,31-,32-,33+,38+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010484
(CHEMBL3264358)Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C39H58N12O10/c40-15-5-4-9-27(34(42)56)46-37(59)29(18-22-7-2-1-3-8-22)48-36(58)28(10-6-16-45-39(43)44)47-35(57)26(41)17-23-11-13-25(14-12-23)60-21-24-19-51(50-49-24)38-33(55)32(54)31(53)30(20-52)61-38/h1-3,7-8,11-14,19,26-33,38,52-55H,4-6,9-10,15-18,20-21,40-41H2,(H2,42,56)(H,46,59)(H,47,57)(H,48,58)(H4,43,44,45)/t26-,27-,28+,29-,30+,31-,32-,33+,38+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Solute carrier family 15 member 1
(Homo sapiens (Human)) | BDBM50420184
(CHEMBL2074601)Show SMILES CN(CC(O)=O)C(=O)[C@@H](N)CC(O)C(=O)OCn1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H20N4O8/c1-7-4-18(14(25)16-11(7)22)6-26-13(24)9(19)3-8(15)12(23)17(2)5-10(20)21/h4,8-9,19H,3,5-6,15H2,1-2H3,(H,20,21)(H,16,22,25)/t8-,9?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells |
J Control Release 86: 279-92 (2003)
BindingDB Entry DOI: 10.7270/Q27H1KVK |
More data for this
Ligand-Target Pair | |
Solute carrier family 15 member 1
(Homo sapiens (Human)) | BDBM50420183
(CHEMBL1823468)Show SMILES CN(CC([O-])=O)C(=O)[C@@H]([NH3+])CCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C16H23N7O7/c1-22(6-10(24)25)15(28)9(17)2-3-11(26)30-5-4-29-8-23-7-19-12-13(23)20-16(18)21-14(12)27/h7,9H,2-6,8,17H2,1H3,(H,24,25)(H3,18,20,21,27)/t9-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells |
J Control Release 86: 279-92 (2003)
BindingDB Entry DOI: 10.7270/Q27H1KVK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50010488
(CHEMBL3264361)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50010486
(CHEMBL3264359)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50010487
(CHEMBL3264360)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010486
(CHEMBL3264359)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29-,30-,31+,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50010489
(CHEMBL3264362)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010487
(CHEMBL3264360)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C37H53N11O10/c1-18-11-22(50)12-19(2)23(18)15-24(38)33(55)43-25(9-6-10-42-37(40)41)34(56)45-27(13-20-7-4-3-5-8-20)35(57)44-26(32(39)54)14-21-16-48(47-46-21)36-31(53)30(52)29(51)28(17-49)58-36/h3-5,7-8,11-12,16,24-31,36,49-53H,6,9-10,13-15,17,38H2,1-2H3,(H2,39,54)(H,43,55)(H,44,57)(H,45,56)(H4,40,41,42)/t24-,25+,26-,27-,28+,29+,30-,31+,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010488
(CHEMBL3264361)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(N)=O |r| Show InChI InChI=1S/C38H55N11O11/c1-19-11-23(51)12-20(2)24(19)14-25(39)34(56)44-26(9-6-10-43-38(41)42)35(57)45-27(13-21-7-4-3-5-8-21)36(58)46-28(33(40)55)18-59-17-22-15-49(48-47-22)37-32(54)31(53)30(52)29(16-50)60-37/h3-5,7-8,11-12,15,25-32,37,50-54H,6,9-10,13-14,16-18,39H2,1-2H3,(H2,40,55)(H,44,56)(H,45,57)(H,46,58)(H4,41,42,43)/t25-,26+,27-,28-,29+,30-,31-,32+,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010489
(CHEMBL3264362)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C44H59N11O11/c1-23-15-28(57)16-24(2)30(23)19-31(45)40(62)50-32(9-6-14-49-44(47)48)41(63)52-34(18-25-7-4-3-5-8-25)42(64)51-33(39(46)61)17-26-10-12-29(13-11-26)65-22-27-20-55(54-53-27)43-38(60)37(59)36(58)35(21-56)66-43/h3-5,7-8,10-13,15-16,20,31-38,43,56-60H,6,9,14,17-19,21-22,45H2,1-2H3,(H2,46,61)(H,50,62)(H,51,64)(H,52,63)(H4,47,48,49)/t31-,32+,33-,34-,35+,36-,37-,38+,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50016867
((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...)Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50010484
(CHEMBL3264358)Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C39H58N12O10/c40-15-5-4-9-27(34(42)56)46-37(59)29(18-22-7-2-1-3-8-22)48-36(58)28(10-6-16-45-39(43)44)47-35(57)26(41)17-23-11-13-25(14-12-23)60-21-24-19-51(50-49-24)38-33(55)32(54)31(53)30(20-52)61-38/h1-3,7-8,11-14,19,26-33,38,52-55H,4-6,9-10,15-18,20-21,40-41H2,(H2,42,56)(H,46,59)(H,47,57)(H,48,58)(H4,43,44,45)/t26-,27-,28+,29-,30+,31-,32-,33+,38+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010484
(CHEMBL3264358)Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C39H58N12O10/c40-15-5-4-9-27(34(42)56)46-37(59)29(18-22-7-2-1-3-8-22)48-36(58)28(10-6-16-45-39(43)44)47-35(57)26(41)17-23-11-13-25(14-12-23)60-21-24-19-51(50-49-24)38-33(55)32(54)31(53)30(20-52)61-38/h1-3,7-8,11-14,19,26-33,38,52-55H,4-6,9-10,15-18,20-21,40-41H2,(H2,42,56)(H,46,59)(H,47,57)(H,48,58)(H4,43,44,45)/t26-,27-,28+,29-,30+,31-,32-,33+,38+/m0/s1 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
ACS Med Chem Lett 5: 352-357 (2014)
Article DOI: 10.1021/ml4004765
BindingDB Entry DOI: 10.7270/Q2VM4DSC |
More data for this
Ligand-Target Pair | |
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