Found 16 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)) | BDBM50201412
(CHEMBL243189 | N alpha-amidino-Tyr(Me)-Pro-Trp-p-C...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.1,6.43,;-3.1,4.89,;-1.77,4.12,;-.43,4.89,;.9,4.12,;.89,2.59,;2.22,1.81,;2.22,.27,;.89,-.49,;.89,-2.03,;-.44,-2.8,;2.22,-2.81,;3.56,-.5,;3.56,-2.04,;4.89,.27,;5.05,1.8,;6.56,2.11,;7.33,.78,;6.29,-.37,;6.61,-1.87,;5.46,-2.9,;8.07,-2.36,;8.38,-3.87,;7.22,-4.89,;7.53,-6.4,;8.99,-6.89,;8.76,-8.57,;7.25,-8.86,;6.48,-10.18,;4.96,-10.17,;4.2,-8.84,;4.98,-7.52,;6.5,-7.53,;9.84,-4.36,;10.99,-3.34,;10.14,-5.87,;11.6,-6.36,;12.76,-5.34,;14.22,-5.83,;14.52,-7.34,;15.98,-7.83,;17.13,-6.81,;18.59,-7.29,;16.82,-5.29,;15.36,-4.81,;11.91,-7.87,;10.76,-8.89,;13.37,-8.36,;-.43,1.81,;-1.76,2.58,)| Show InChI InChI=1S/C36H41ClN8O5/c1-50-25-14-10-22(11-15-25)18-30(44-36(39)40)35(49)45-16-4-7-31(45)34(48)43-29(19-23-20-41-27-6-3-2-5-26(23)27)33(47)42-28(32(38)46)17-21-8-12-24(37)13-9-21/h2-3,5-6,8-15,20,28-31,41H,4,7,16-19H2,1H3,(H2,38,46)(H,42,47)(H,43,48)(H4,39,40,44)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 538 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50201414
(CHEMBL390271 | N alpha-amidino-Tyr(Me)-Pro-Trp-Phe...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)| Show InChI InChI=1S/C36H42N8O5/c1-49-25-15-13-23(14-16-25)19-30(43-36(38)39)35(48)44-17-7-12-31(44)34(47)42-29(20-24-21-40-27-11-6-5-10-26(24)27)33(46)41-28(32(37)45)18-22-8-3-2-4-9-22/h2-6,8-11,13-16,21,28-31,40H,7,12,17-20H2,1H3,(H2,37,45)(H,41,46)(H,42,47)(H4,38,39,43)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 792 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50201413
(CHEMBL390689 | N alpha-amidino-Tyr(Me)-D-Pro-Gly-T...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-5.41,-29.95,;-5.41,-31.49,;-4.08,-32.26,;-2.74,-31.49,;-1.41,-32.26,;-1.42,-33.8,;-.09,-34.57,;-.09,-36.11,;-1.42,-36.88,;-1.42,-38.42,;-2.75,-39.19,;-.09,-39.19,;1.25,-36.88,;1.25,-38.42,;2.58,-36.11,;2.74,-34.59,;4.25,-34.27,;5.02,-35.61,;3.98,-36.75,;4.3,-38.26,;3.15,-39.29,;5.76,-38.75,;6.91,-37.73,;8.37,-38.22,;8.68,-39.73,;9.53,-37.2,;10.99,-37.69,;12.14,-36.67,;11.83,-35.16,;12.87,-34.02,;12.11,-32.68,;10.61,-33,;9.38,-32.08,;7.98,-32.69,;7.8,-34.22,;9.03,-35.13,;10.43,-34.52,;11.29,-39.19,;10.14,-40.21,;12.75,-39.68,;13.91,-38.66,;13.6,-37.15,;14.75,-36.13,;16.21,-36.63,;17.36,-35.61,;17.06,-34.1,;18.21,-33.08,;15.59,-33.61,;14.44,-34.63,;15.37,-39.15,;15.68,-40.66,;16.53,-38.13,;-2.74,-34.57,;-4.07,-33.81,)| Show InChI InChI=1S/C38H44ClN9O6/c1-54-26-14-10-23(11-15-26)18-31(47-38(41)42)37(53)48-16-4-7-32(48)36(52)44-21-33(49)45-30(19-24-20-43-28-6-3-2-5-27(24)28)35(51)46-29(34(40)50)17-22-8-12-25(39)13-9-22/h2-3,5-6,8-15,20,29-32,43H,4,7,16-19,21H2,1H3,(H2,40,50)(H,44,52)(H,45,49)(H,46,51)(H4,41,42,47)/t29-,30-,31-,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 919 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50201411
(CHEMBL243724 | N alpha-amidino-Tyr(Me)-D-Pro-Gly-T...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-7.63,-41.49,;-7.63,-43.03,;-6.29,-43.8,;-4.96,-43.03,;-3.63,-43.8,;-3.64,-45.33,;-2.3,-46.1,;-2.3,-47.64,;-3.64,-48.41,;-3.64,-49.95,;-4.97,-50.72,;-2.3,-50.72,;-.97,-48.41,;-.97,-49.96,;.37,-47.65,;.53,-46.12,;2.04,-45.81,;2.8,-47.14,;1.77,-48.28,;2.08,-49.79,;.93,-50.82,;3.54,-50.28,;4.7,-49.26,;6.16,-49.75,;6.46,-51.26,;7.31,-48.73,;8.77,-49.22,;9.92,-48.2,;9.62,-46.69,;10.65,-45.56,;9.9,-44.22,;8.39,-44.53,;7.17,-43.62,;5.76,-44.22,;5.59,-45.75,;6.81,-46.66,;8.21,-46.05,;9.08,-50.73,;7.92,-51.75,;10.54,-51.22,;11.69,-50.2,;11.38,-48.69,;12.54,-47.67,;13.99,-48.16,;15.15,-47.14,;14.84,-45.63,;13.37,-45.14,;12.22,-46.17,;13.15,-50.69,;13.46,-52.2,;14.31,-49.67,;-4.96,-46.11,;-6.29,-45.34,)| Show InChI InChI=1S/C38H45N9O6/c1-53-26-15-13-24(14-16-26)19-31(46-38(40)41)37(52)47-17-7-12-32(47)36(51)43-22-33(48)44-30(20-25-21-42-28-11-6-5-10-27(25)28)35(50)45-29(34(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,42H,7,12,17-20,22H2,1H3,(H2,39,49)(H,43,51)(H,44,48)(H,45,50)(H4,40,41,46)/t29-,30-,31-,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50201412
(CHEMBL243189 | N alpha-amidino-Tyr(Me)-Pro-Trp-p-C...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.1,6.43,;-3.1,4.89,;-1.77,4.12,;-.43,4.89,;.9,4.12,;.89,2.59,;2.22,1.81,;2.22,.27,;.89,-.49,;.89,-2.03,;-.44,-2.8,;2.22,-2.81,;3.56,-.5,;3.56,-2.04,;4.89,.27,;5.05,1.8,;6.56,2.11,;7.33,.78,;6.29,-.37,;6.61,-1.87,;5.46,-2.9,;8.07,-2.36,;8.38,-3.87,;7.22,-4.89,;7.53,-6.4,;8.99,-6.89,;8.76,-8.57,;7.25,-8.86,;6.48,-10.18,;4.96,-10.17,;4.2,-8.84,;4.98,-7.52,;6.5,-7.53,;9.84,-4.36,;10.99,-3.34,;10.14,-5.87,;11.6,-6.36,;12.76,-5.34,;14.22,-5.83,;14.52,-7.34,;15.98,-7.83,;17.13,-6.81,;18.59,-7.29,;16.82,-5.29,;15.36,-4.81,;11.91,-7.87,;10.76,-8.89,;13.37,-8.36,;-.43,1.81,;-1.76,2.58,)| Show InChI InChI=1S/C36H41ClN8O5/c1-50-25-14-10-22(11-15-25)18-30(44-36(39)40)35(49)45-16-4-7-31(45)34(48)43-29(19-23-20-41-27-6-3-2-5-26(23)27)33(47)42-28(32(38)46)17-21-8-12-24(37)13-9-21/h2-3,5-6,8-15,20,28-31,41H,4,7,16-19H2,1H3,(H2,38,46)(H,42,47)(H,43,48)(H4,39,40,44)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50201413
(CHEMBL390689 | N alpha-amidino-Tyr(Me)-D-Pro-Gly-T...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-5.41,-29.95,;-5.41,-31.49,;-4.08,-32.26,;-2.74,-31.49,;-1.41,-32.26,;-1.42,-33.8,;-.09,-34.57,;-.09,-36.11,;-1.42,-36.88,;-1.42,-38.42,;-2.75,-39.19,;-.09,-39.19,;1.25,-36.88,;1.25,-38.42,;2.58,-36.11,;2.74,-34.59,;4.25,-34.27,;5.02,-35.61,;3.98,-36.75,;4.3,-38.26,;3.15,-39.29,;5.76,-38.75,;6.91,-37.73,;8.37,-38.22,;8.68,-39.73,;9.53,-37.2,;10.99,-37.69,;12.14,-36.67,;11.83,-35.16,;12.87,-34.02,;12.11,-32.68,;10.61,-33,;9.38,-32.08,;7.98,-32.69,;7.8,-34.22,;9.03,-35.13,;10.43,-34.52,;11.29,-39.19,;10.14,-40.21,;12.75,-39.68,;13.91,-38.66,;13.6,-37.15,;14.75,-36.13,;16.21,-36.63,;17.36,-35.61,;17.06,-34.1,;18.21,-33.08,;15.59,-33.61,;14.44,-34.63,;15.37,-39.15,;15.68,-40.66,;16.53,-38.13,;-2.74,-34.57,;-4.07,-33.81,)| Show InChI InChI=1S/C38H44ClN9O6/c1-54-26-14-10-23(11-15-26)18-31(47-38(41)42)37(53)48-16-4-7-32(48)36(52)44-21-33(49)45-30(19-24-20-43-28-6-3-2-5-27(24)28)35(51)46-29(34(40)50)17-22-8-12-25(39)13-9-22/h2-3,5-6,8-15,20,29-32,43H,4,7,16-19,21H2,1H3,(H2,40,50)(H,44,52)(H,45,49)(H,46,51)(H4,41,42,47)/t29-,30-,31-,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50201414
(CHEMBL390271 | N alpha-amidino-Tyr(Me)-Pro-Trp-Phe...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)| Show InChI InChI=1S/C36H42N8O5/c1-49-25-15-13-23(14-16-25)19-30(43-36(38)39)35(48)44-17-7-12-31(44)34(47)42-29(20-24-21-40-27-11-6-5-10-26(24)27)33(46)41-28(32(37)45)18-22-8-3-2-4-9-22/h2-6,8-11,13-16,21,28-31,40H,7,12,17-20H2,1H3,(H2,37,45)(H,41,46)(H,42,47)(H4,38,39,43)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50201411
(CHEMBL243724 | N alpha-amidino-Tyr(Me)-D-Pro-Gly-T...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-7.63,-41.49,;-7.63,-43.03,;-6.29,-43.8,;-4.96,-43.03,;-3.63,-43.8,;-3.64,-45.33,;-2.3,-46.1,;-2.3,-47.64,;-3.64,-48.41,;-3.64,-49.95,;-4.97,-50.72,;-2.3,-50.72,;-.97,-48.41,;-.97,-49.96,;.37,-47.65,;.53,-46.12,;2.04,-45.81,;2.8,-47.14,;1.77,-48.28,;2.08,-49.79,;.93,-50.82,;3.54,-50.28,;4.7,-49.26,;6.16,-49.75,;6.46,-51.26,;7.31,-48.73,;8.77,-49.22,;9.92,-48.2,;9.62,-46.69,;10.65,-45.56,;9.9,-44.22,;8.39,-44.53,;7.17,-43.62,;5.76,-44.22,;5.59,-45.75,;6.81,-46.66,;8.21,-46.05,;9.08,-50.73,;7.92,-51.75,;10.54,-51.22,;11.69,-50.2,;11.38,-48.69,;12.54,-47.67,;13.99,-48.16,;15.15,-47.14,;14.84,-45.63,;13.37,-45.14,;12.22,-46.17,;13.15,-50.69,;13.46,-52.2,;14.31,-49.67,;-4.96,-46.11,;-6.29,-45.34,)| Show InChI InChI=1S/C38H45N9O6/c1-53-26-15-13-24(14-16-26)19-31(46-38(40)41)37(52)47-17-7-12-32(47)36(51)43-22-33(48)44-30(20-25-21-42-28-11-6-5-10-27(25)28)35(50)45-29(34(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,42H,7,12,17-20,22H2,1H3,(H2,39,49)(H,43,51)(H,44,48)(H,45,50)(H4,40,41,46)/t29-,30-,31-,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor in rat brain synaptosome membrane by radioligand binding assay |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50201412
(CHEMBL243189 | N alpha-amidino-Tyr(Me)-Pro-Trp-p-C...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.1,6.43,;-3.1,4.89,;-1.77,4.12,;-.43,4.89,;.9,4.12,;.89,2.59,;2.22,1.81,;2.22,.27,;.89,-.49,;.89,-2.03,;-.44,-2.8,;2.22,-2.81,;3.56,-.5,;3.56,-2.04,;4.89,.27,;5.05,1.8,;6.56,2.11,;7.33,.78,;6.29,-.37,;6.61,-1.87,;5.46,-2.9,;8.07,-2.36,;8.38,-3.87,;7.22,-4.89,;7.53,-6.4,;8.99,-6.89,;8.76,-8.57,;7.25,-8.86,;6.48,-10.18,;4.96,-10.17,;4.2,-8.84,;4.98,-7.52,;6.5,-7.53,;9.84,-4.36,;10.99,-3.34,;10.14,-5.87,;11.6,-6.36,;12.76,-5.34,;14.22,-5.83,;14.52,-7.34,;15.98,-7.83,;17.13,-6.81,;18.59,-7.29,;16.82,-5.29,;15.36,-4.81,;11.91,-7.87,;10.76,-8.89,;13.37,-8.36,;-.43,1.81,;-1.76,2.58,)| Show InChI InChI=1S/C36H41ClN8O5/c1-50-25-14-10-22(11-15-25)18-30(44-36(39)40)35(49)45-16-4-7-31(45)34(48)43-29(19-23-20-41-27-6-3-2-5-26(23)27)33(47)42-28(32(38)46)17-21-8-12-24(37)13-9-21/h2-3,5-6,8-15,20,28-31,41H,4,7,16-19H2,1H3,(H2,38,46)(H,42,47)(H,43,48)(H4,39,40,44)/t28-,29-,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 845 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50201414
(CHEMBL390271 | N alpha-amidino-Tyr(Me)-Pro-Trp-Phe...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)| Show InChI InChI=1S/C36H42N8O5/c1-49-25-15-13-23(14-16-25)19-30(43-36(38)39)35(48)44-17-7-12-31(44)34(47)42-29(20-24-21-40-27-11-6-5-10-26(24)27)33(46)41-28(32(37)45)18-22-8-3-2-4-9-22/h2-6,8-11,13-16,21,28-31,40H,7,12,17-20H2,1H3,(H2,37,45)(H,41,46)(H,42,47)(H4,38,39,43)/t28-,29-,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 988 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50201411
(CHEMBL243724 | N alpha-amidino-Tyr(Me)-D-Pro-Gly-T...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-7.63,-41.49,;-7.63,-43.03,;-6.29,-43.8,;-4.96,-43.03,;-3.63,-43.8,;-3.64,-45.33,;-2.3,-46.1,;-2.3,-47.64,;-3.64,-48.41,;-3.64,-49.95,;-4.97,-50.72,;-2.3,-50.72,;-.97,-48.41,;-.97,-49.96,;.37,-47.65,;.53,-46.12,;2.04,-45.81,;2.8,-47.14,;1.77,-48.28,;2.08,-49.79,;.93,-50.82,;3.54,-50.28,;4.7,-49.26,;6.16,-49.75,;6.46,-51.26,;7.31,-48.73,;8.77,-49.22,;9.92,-48.2,;9.62,-46.69,;10.65,-45.56,;9.9,-44.22,;8.39,-44.53,;7.17,-43.62,;5.76,-44.22,;5.59,-45.75,;6.81,-46.66,;8.21,-46.05,;9.08,-50.73,;7.92,-51.75,;10.54,-51.22,;11.69,-50.2,;11.38,-48.69,;12.54,-47.67,;13.99,-48.16,;15.15,-47.14,;14.84,-45.63,;13.37,-45.14,;12.22,-46.17,;13.15,-50.69,;13.46,-52.2,;14.31,-49.67,;-4.96,-46.11,;-6.29,-45.34,)| Show InChI InChI=1S/C38H45N9O6/c1-53-26-15-13-24(14-16-26)19-31(46-38(40)41)37(52)47-17-7-12-32(47)36(51)43-22-33(48)44-30(20-25-21-42-28-11-6-5-10-27(25)28)35(50)45-29(34(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,42H,7,12,17-20,22H2,1H3,(H2,39,49)(H,43,51)(H,44,48)(H,45,50)(H4,40,41,46)/t29-,30-,31-,32+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50201413
(CHEMBL390689 | N alpha-amidino-Tyr(Me)-D-Pro-Gly-T...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-5.41,-29.95,;-5.41,-31.49,;-4.08,-32.26,;-2.74,-31.49,;-1.41,-32.26,;-1.42,-33.8,;-.09,-34.57,;-.09,-36.11,;-1.42,-36.88,;-1.42,-38.42,;-2.75,-39.19,;-.09,-39.19,;1.25,-36.88,;1.25,-38.42,;2.58,-36.11,;2.74,-34.59,;4.25,-34.27,;5.02,-35.61,;3.98,-36.75,;4.3,-38.26,;3.15,-39.29,;5.76,-38.75,;6.91,-37.73,;8.37,-38.22,;8.68,-39.73,;9.53,-37.2,;10.99,-37.69,;12.14,-36.67,;11.83,-35.16,;12.87,-34.02,;12.11,-32.68,;10.61,-33,;9.38,-32.08,;7.98,-32.69,;7.8,-34.22,;9.03,-35.13,;10.43,-34.52,;11.29,-39.19,;10.14,-40.21,;12.75,-39.68,;13.91,-38.66,;13.6,-37.15,;14.75,-36.13,;16.21,-36.63,;17.36,-35.61,;17.06,-34.1,;18.21,-33.08,;15.59,-33.61,;14.44,-34.63,;15.37,-39.15,;15.68,-40.66,;16.53,-38.13,;-2.74,-34.57,;-4.07,-33.81,)| Show InChI InChI=1S/C38H44ClN9O6/c1-54-26-14-10-23(11-15-26)18-31(47-38(41)42)37(53)48-16-4-7-32(48)36(52)44-21-33(49)45-30(19-24-20-43-28-6-3-2-5-27(24)28)35(51)46-29(34(40)50)17-22-8-12-25(39)13-9-22/h2-3,5-6,8-15,20,29-32,43H,4,7,16-19,21H2,1H3,(H2,40,50)(H,44,52)(H,45,49)(H,46,51)(H4,41,42,47)/t29-,30-,31-,32+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50201412
(CHEMBL243189 | N alpha-amidino-Tyr(Me)-Pro-Trp-p-C...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.1,6.43,;-3.1,4.89,;-1.77,4.12,;-.43,4.89,;.9,4.12,;.89,2.59,;2.22,1.81,;2.22,.27,;.89,-.49,;.89,-2.03,;-.44,-2.8,;2.22,-2.81,;3.56,-.5,;3.56,-2.04,;4.89,.27,;5.05,1.8,;6.56,2.11,;7.33,.78,;6.29,-.37,;6.61,-1.87,;5.46,-2.9,;8.07,-2.36,;8.38,-3.87,;7.22,-4.89,;7.53,-6.4,;8.99,-6.89,;8.76,-8.57,;7.25,-8.86,;6.48,-10.18,;4.96,-10.17,;4.2,-8.84,;4.98,-7.52,;6.5,-7.53,;9.84,-4.36,;10.99,-3.34,;10.14,-5.87,;11.6,-6.36,;12.76,-5.34,;14.22,-5.83,;14.52,-7.34,;15.98,-7.83,;17.13,-6.81,;18.59,-7.29,;16.82,-5.29,;15.36,-4.81,;11.91,-7.87,;10.76,-8.89,;13.37,-8.36,;-.43,1.81,;-1.76,2.58,)| Show InChI InChI=1S/C36H41ClN8O5/c1-50-25-14-10-22(11-15-25)18-30(44-36(39)40)35(49)45-16-4-7-31(45)34(48)43-29(19-23-20-41-27-6-3-2-5-26(23)27)33(47)42-28(32(38)46)17-21-8-12-24(37)13-9-21/h2-3,5-6,8-15,20,28-31,41H,4,7,16-19H2,1H3,(H2,38,46)(H,42,47)(H,43,48)(H4,39,40,44)/t28-,29-,30-,31-/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 | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50201414
(CHEMBL390271 | N alpha-amidino-Tyr(Me)-Pro-Trp-Phe...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:36.38,7.7,18.19,wD:22.22,(-3.45,-11.1,;-3.45,-12.64,;-2.12,-13.41,;-.78,-12.64,;.55,-13.41,;.54,-14.95,;1.87,-15.72,;1.87,-17.26,;.54,-18.03,;.54,-19.57,;-.79,-20.34,;1.87,-20.34,;3.21,-18.03,;3.21,-19.57,;4.54,-17.26,;4.7,-15.73,;6.21,-15.42,;6.98,-16.76,;5.94,-17.9,;6.26,-19.4,;5.11,-20.44,;7.72,-19.89,;8.03,-21.4,;6.87,-22.42,;7.18,-23.93,;8.64,-24.42,;8.41,-26.1,;6.9,-26.4,;6.13,-27.71,;4.61,-27.7,;3.85,-26.37,;4.63,-25.05,;6.15,-25.07,;9.49,-21.89,;10.64,-20.87,;9.79,-23.4,;11.25,-23.89,;12.41,-22.87,;13.87,-23.36,;14.17,-24.87,;15.63,-25.36,;16.78,-24.34,;16.47,-22.82,;15.01,-22.34,;11.56,-25.4,;10.41,-26.43,;13.02,-25.89,;-.78,-15.72,;-2.11,-14.96,)| Show InChI InChI=1S/C36H42N8O5/c1-49-25-15-13-23(14-16-25)19-30(43-36(38)39)35(48)44-17-7-12-31(44)34(47)42-29(20-24-21-40-27-11-6-5-10-26(24)27)33(46)41-28(32(37)45)18-22-8-3-2-4-9-22/h2-6,8-11,13-16,21,28-31,40H,7,12,17-20H2,1H3,(H2,37,45)(H,41,46)(H,42,47)(H4,38,39,43)/t28-,29-,30-,31-/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 | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50201411
(CHEMBL243724 | N alpha-amidino-Tyr(Me)-D-Pro-Gly-T...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-7.63,-41.49,;-7.63,-43.03,;-6.29,-43.8,;-4.96,-43.03,;-3.63,-43.8,;-3.64,-45.33,;-2.3,-46.1,;-2.3,-47.64,;-3.64,-48.41,;-3.64,-49.95,;-4.97,-50.72,;-2.3,-50.72,;-.97,-48.41,;-.97,-49.96,;.37,-47.65,;.53,-46.12,;2.04,-45.81,;2.8,-47.14,;1.77,-48.28,;2.08,-49.79,;.93,-50.82,;3.54,-50.28,;4.7,-49.26,;6.16,-49.75,;6.46,-51.26,;7.31,-48.73,;8.77,-49.22,;9.92,-48.2,;9.62,-46.69,;10.65,-45.56,;9.9,-44.22,;8.39,-44.53,;7.17,-43.62,;5.76,-44.22,;5.59,-45.75,;6.81,-46.66,;8.21,-46.05,;9.08,-50.73,;7.92,-51.75,;10.54,-51.22,;11.69,-50.2,;11.38,-48.69,;12.54,-47.67,;13.99,-48.16,;15.15,-47.14,;14.84,-45.63,;13.37,-45.14,;12.22,-46.17,;13.15,-50.69,;13.46,-52.2,;14.31,-49.67,;-4.96,-46.11,;-6.29,-45.34,)| Show InChI InChI=1S/C38H45N9O6/c1-53-26-15-13-24(14-16-26)19-31(46-38(40)41)37(52)47-17-7-12-32(47)36(51)43-22-33(48)44-30(20-25-21-42-28-11-6-5-10-27(25)28)35(50)45-29(34(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,42H,7,12,17-20,22H2,1H3,(H2,39,49)(H,43,51)(H,44,48)(H,45,50)(H4,40,41,46)/t29-,30-,31-,32+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50201413
(CHEMBL390689 | N alpha-amidino-Tyr(Me)-D-Pro-Gly-T...)Show SMILES COc1ccc(C[C@H](N=C(N)N)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 |wU:26.26,7.7,40.42,wD:18.19,(-5.41,-29.95,;-5.41,-31.49,;-4.08,-32.26,;-2.74,-31.49,;-1.41,-32.26,;-1.42,-33.8,;-.09,-34.57,;-.09,-36.11,;-1.42,-36.88,;-1.42,-38.42,;-2.75,-39.19,;-.09,-39.19,;1.25,-36.88,;1.25,-38.42,;2.58,-36.11,;2.74,-34.59,;4.25,-34.27,;5.02,-35.61,;3.98,-36.75,;4.3,-38.26,;3.15,-39.29,;5.76,-38.75,;6.91,-37.73,;8.37,-38.22,;8.68,-39.73,;9.53,-37.2,;10.99,-37.69,;12.14,-36.67,;11.83,-35.16,;12.87,-34.02,;12.11,-32.68,;10.61,-33,;9.38,-32.08,;7.98,-32.69,;7.8,-34.22,;9.03,-35.13,;10.43,-34.52,;11.29,-39.19,;10.14,-40.21,;12.75,-39.68,;13.91,-38.66,;13.6,-37.15,;14.75,-36.13,;16.21,-36.63,;17.36,-35.61,;17.06,-34.1,;18.21,-33.08,;15.59,-33.61,;14.44,-34.63,;15.37,-39.15,;15.68,-40.66,;16.53,-38.13,;-2.74,-34.57,;-4.07,-33.81,)| Show InChI InChI=1S/C38H44ClN9O6/c1-54-26-14-10-23(11-15-26)18-31(47-38(41)42)37(53)48-16-4-7-32(48)36(52)44-21-33(49)45-30(19-24-20-43-28-6-3-2-5-27(24)28)35(51)46-29(34(40)50)17-22-8-12-25(39)13-9-22/h2-3,5-6,8-15,20,29-32,43H,4,7,16-19,21H2,1H3,(H2,40,50)(H,44,52)(H,45,49)(H,46,51)(H4,41,42,47)/t29-,30-,31-,32+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-induced twitches |
Bioorg Med Chem 15: 1694-702 (2007)
Article DOI: 10.1016/j.bmc.2006.12.007
BindingDB Entry DOI: 10.7270/Q2W958V6 |
More data for this
Ligand-Target Pair | |
Search and Browse
