Found 5 hits for monomerid = 50452249 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)) | BDBM50452249
(CHEMBL2373012)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 103 | 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)) | BDBM50452249
(CHEMBL2373012)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 153 | 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)) | BDBM50452249
(CHEMBL2373012)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 561 | 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 | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50452249
(CHEMBL2373012)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/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) | BDBM50452249
(CHEMBL2373012)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O |wU:72.75,4.4,86.91,61.64,104.110,wD:100.107,23.36,50.53,8.16,37.40,(25.09,-20.82,;25.59,-19.36,;24.58,-18.2,;27.1,-19.07,;27.61,-17.61,;29.12,-17.32,;30.13,-18.49,;29.62,-19.94,;31.64,-18.2,;32.14,-16.74,;31.14,-15.58,;31.64,-14.12,;30.63,-12.96,;29.12,-13.25,;28.62,-14.7,;29.62,-15.87,;32.65,-19.36,;34.16,-19.07,;34.66,-17.61,;35.17,-20.23,;36.68,-19.94,;37.69,-21.11,;37.18,-22.56,;39.2,-20.82,;40.21,-21.98,;39.7,-23.44,;38.23,-23.88,;38.2,-25.42,;39.66,-25.93,;40.26,-27.35,;41.78,-27.54,;42.71,-26.31,;42.11,-24.89,;40.59,-24.7,;39.7,-19.36,;38.7,-18.2,;37.18,-18.49,;39.2,-16.74,;40.71,-16.45,;38.19,-15.58,;38.7,-14.12,;37.69,-12.96,;38.19,-11.5,;39.7,-11.21,;40.21,-9.76,;40.71,-12.38,;40.21,-13.83,;26.6,-16.45,;27.1,-15,;25.09,-16.74,;24.08,-15.58,;24.58,-14.12,;26.09,-13.83,;26.6,-12.38,;28.11,-12.09,;28.62,-10.63,;30.13,-10.34,;27.61,-9.47,;22.57,-15.87,;22.06,-17.32,;21.56,-14.7,;20.05,-15,;19.54,-16.45,;18.03,-16.74,;17.53,-18.2,;16.01,-18.49,;15.51,-19.94,;14,-20.23,;16.52,-21.11,;19.04,-13.83,;19.54,-12.38,;17.53,-14.12,;16.52,-12.96,;17.02,-11.5,;16.01,-10.34,;14.48,-10.47,;13.88,-9.05,;15.04,-8.04,;15.07,-6.5,;16.42,-5.76,;17.74,-6.56,;17.71,-8.1,;16.36,-8.84,;15,-13.25,;14.5,-14.7,;14,-12.09,;12.48,-12.38,;11.98,-13.83,;10.47,-14.12,;9.96,-15.58,;8.45,-15.87,;7.95,-17.32,;6.44,-17.61,;8.96,-18.49,;11.48,-11.21,;11.98,-9.76,;9.96,-11.5,;9.31,-12.9,;7.78,-12.71,;7.49,-11.19,;8.84,-10.45,;9.03,-8.92,;10.45,-8.32,;7.8,-7.99,;7.99,-6.47,;6.76,-5.54,;6.95,-4.01,;5.73,-3.08,;5.92,-1.55,;4.69,-.62,;9.41,-5.87,;10.64,-6.8,;9.6,-4.34,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(98-70(108)60(38-45-16-4-3-5-17-45)92-64(102)43-91-66(104)61(39-47-41-89-53-20-8-6-18-50(47)53)97-65(103)52(79)37-46-27-29-49(101)30-28-46)69(107)94-55(23-12-32-86-75(80)81)67(105)93-56(24-13-33-87-76(82)83)68(106)99-62(40-48-42-90-54-21-9-7-19-51(48)54)71(109)95-57(25-14-34-88-77(84)85)73(111)100-35-15-26-63(100)72(110)96-58(74(112)113)22-10-11-31-78/h3-9,16-21,27-30,41-42,44,52,55-63,89-90,101H,10-15,22-26,31-40,43,78-79H2,1-2H3,(H,91,104)(H,92,102)(H,93,105)(H,94,107)(H,95,109)(H,96,110)(H,97,103)(H,98,108)(H,99,106)(H,112,113)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t52-,55-,56-,57-,58-,59-,60-,61+,62+,63+/m0/s1 | UniProtKB/SwissProt
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UniChem
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| n/a | n/a | 8.89E+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 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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