Found 6 hits for monomerid = 50452250 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50452250
(CHEMBL2373014)Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)| Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]DAGO([[3H]-D-Ala,MePhe4,Glyol5]enkephalin) binding to mu sites in rat brain homogenates. |
J Med Chem 29: 1913-7 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89BCJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50452250
(CHEMBL2373014)Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)| Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]-bremazocine binding to Opioid receptor kappa 1 in guinea pig cerebellum membrane homogenates. |
J Med Chem 29: 1913-7 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89BCJ |
More data for this
Ligand-Target Pair | |
Opioid receptors; mu & delta
(Rattus norvegicus (rat)) | BDBM50452250
(CHEMBL2373014)Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)| Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 303 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of [3H]DSLET([[3H]-D-Ser2,Leu5,Thr6]enkephalin binding to Opioid receptor delta 1 in rat brain homogenates. |
J Med Chem 29: 1913-7 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89BCJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50452250
(CHEMBL2373014)Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)| Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor delta 1 in hamster vas deferens. |
J Med Chem 29: 1913-7 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89BCJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50452250
(CHEMBL2373014)Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)| Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens. |
J Med Chem 29: 1913-7 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89BCJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50452250
(CHEMBL2373014)Show SMILES NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |wU:16.24,41.51,5.5,wD:9.8,63.78,27.40,52.62,77.90,96.102,(25.1,-5.27,;24.22,-6.52,;22.68,-6.38,;21.79,-7.64,;20.26,-7.5,;19.37,-8.75,;17.84,-8.61,;16.95,-9.87,;17.59,-11.27,;15.41,-9.73,;14.63,-8.41,;13.12,-8.74,;12.98,-10.28,;14.4,-10.89,;14.74,-12.39,;16.21,-12.85,;13.61,-13.43,;12.14,-12.98,;11.8,-11.47,;10.33,-11.02,;9.99,-9.51,;8.52,-9.06,;8.18,-7.56,;7.38,-10.1,;13.95,-14.94,;12.81,-15.98,;11.34,-15.52,;13.15,-17.48,;12.02,-18.53,;10.55,-18.07,;10.06,-16.61,;8.52,-16.63,;8.06,-18.1,;6.66,-18.75,;6.52,-20.28,;7.78,-21.17,;9.18,-20.53,;9.32,-18.99,;14.62,-17.94,;15.76,-16.9,;15.42,-15.39,;17.23,-17.35,;17.57,-18.85,;16.43,-19.9,;16.77,-21.4,;15.64,-22.45,;15.98,-23.95,;14.85,-24.99,;17.45,-24.41,;18.36,-16.31,;19.83,-16.76,;20.17,-18.27,;20.96,-15.72,;20.62,-14.22,;21.75,-13.17,;21.41,-11.67,;22.54,-10.63,;22.2,-9.12,;23.33,-8.08,;20.73,-8.67,;22.43,-16.18,;23.56,-15.13,;23.22,-13.63,;25.03,-15.59,;25.37,-17.09,;24.24,-18.14,;22.73,-17.83,;21.98,-19.18,;23.02,-20.31,;22.88,-21.84,;24.14,-22.73,;25.54,-22.09,;25.68,-20.55,;24.42,-19.67,;26.16,-14.54,;27.63,-15,;27.97,-16.5,;28.76,-13.96,;28.43,-12.45,;26.95,-12,;25.82,-13.04,;24.35,-12.58,;24.01,-11.08,;25.14,-10.04,;26.62,-10.49,;30.23,-14.41,;31.37,-13.37,;31.03,-11.87,;32.84,-13.83,;33.97,-12.78,;35.44,-13.24,;35.78,-14.74,;36.57,-12.19,;38.04,-12.65,;39.17,-11.6,;38.83,-10.1,;40.64,-12.06,;40.98,-13.56,;41.77,-11.02,;43.24,-11.47,;44.38,-10.43,;45.85,-10.89,;46.19,-12.39,;47.66,-12.85,;45.05,-13.43,;43.58,-12.98,;20.01,-10.15,;19.13,-11.41,;21.55,-10.29,)| Show InChI InChI=1S/C73H101N23O13/c74-29-9-8-20-55(70(108)109)93-68(106)59-24-13-33-96(59)69(107)54(23-12-32-84-73(80)81)92-67(105)58(37-45-39-86-51-19-7-5-17-48(45)51)94-64(102)53(22-11-31-83-72(78)79)90-63(101)52(21-10-30-82-71(76)77)91-66(104)57(36-44-38-85-50-18-6-4-16-47(44)50)95-65(103)56(35-42-14-2-1-3-15-42)89-61(99)41-87-60(98)40-88-62(100)49(75)34-43-25-27-46(97)28-26-43/h1-7,14-19,25-28,38-39,49,52-59,85-86,97H,8-13,20-24,29-37,40-41,74-75H2,(H,87,98)(H,88,100)(H,89,99)(H,90,101)(H,91,104)(H,92,105)(H,93,106)(H,94,102)(H,95,103)(H,108,109)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t49-,52-,53-,54-,55-,56-,57+,58+,59+/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum. |
J Med Chem 29: 1913-7 (1986)
BindingDB Entry DOI: 10.7270/Q2Z89BCJ |
More data for this
Ligand-Target Pair | |
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