Found 5 hits for monomerid = 50452248 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 |
|---|
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50452248
(CHEMBL3037891)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=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:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)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,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(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
| 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]-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 | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50452248
(CHEMBL3037891)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=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:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)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,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(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
| 327 | 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 | |
Opioid receptors; mu & delta
(Rattus norvegicus (rat)) | BDBM50452248
(CHEMBL3037891)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=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:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)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,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(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
| 1.04E+3 | 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 | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50452248
(CHEMBL3037891)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=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:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)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,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(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
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 222 | 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 | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50452248
(CHEMBL3037891)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=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:100.107,4.4,72.75,86.91,61.64,19.20,wD:50.53,104.110,8.8,37.40,(29.76,-16.76,;29.43,-15.26,;27.96,-14.79,;30.57,-14.22,;30.25,-12.72,;31.39,-11.68,;32.85,-12.15,;33.18,-13.66,;33.99,-11.12,;33.67,-9.61,;32.2,-9.14,;31.87,-7.64,;30.41,-7.17,;29.27,-8.2,;29.59,-9.71,;31.06,-10.18,;35.46,-11.59,;36.6,-10.55,;36.27,-9.05,;38.07,-11.02,;39.21,-9.99,;40.67,-10.46,;41.15,-11.92,;42.69,-11.92,;43.16,-10.45,;44.57,-9.82,;44.72,-8.29,;43.48,-7.39,;42.07,-8.02,;41.92,-9.55,;38.39,-12.53,;37.25,-13.56,;35.79,-13.09,;37.58,-15.07,;36.44,-16.1,;36.76,-17.61,;38.23,-18.08,;35.62,-18.64,;34.16,-18.17,;35.95,-20.15,;34.81,-21.18,;35.13,-22.69,;33.99,-23.72,;32.53,-23.25,;31.39,-24.29,;32.2,-21.75,;33.34,-20.71,;28.78,-12.25,;28.45,-10.74,;27.64,-13.28,;26.17,-12.81,;25.85,-11.31,;26.99,-10.27,;26.66,-8.77,;25.19,-8.3,;24.87,-6.79,;26.01,-5.76,;23.4,-6.32,;25.03,-13.85,;25.36,-15.35,;23.56,-13.38,;22.42,-14.41,;22.75,-15.92,;21.61,-16.95,;21.94,-18.46,;20.8,-19.49,;21.12,-21,;19.98,-22.03,;22.59,-21.47,;20.96,-13.94,;20.63,-12.44,;19.82,-14.98,;18.35,-14.51,;18.51,-12.97,;17.26,-12.07,;15.79,-12.55,;14.88,-11.31,;15.78,-10.06,;15.46,-8.56,;16.6,-7.52,;18.07,-7.99,;18.39,-9.5,;17.25,-10.53,;17.21,-15.54,;17.54,-17.05,;15.74,-15.07,;14.6,-16.1,;14.93,-17.61,;13.79,-18.64,;14.11,-20.15,;12.97,-21.18,;13.3,-22.69,;12.16,-23.72,;14.77,-23.16,;13.14,-15.63,;12,-16.67,;12.81,-14.13,;13.84,-12.98,;13.06,-11.65,;11.56,-11.98,;11.4,-13.51,;10.07,-14.28,;10.08,-15.82,;8.73,-13.52,;7.4,-14.29,;6.07,-13.53,;4.74,-14.3,;3.4,-13.54,;2.07,-14.31,;.73,-13.55,;7.41,-15.83,;8.75,-16.6,;6.08,-16.61,)| Show InChI InChI=1S/C77H109N23O13/c1-44(2)36-59(97-69(107)60(38-45-16-4-3-5-17-45)98-70(108)61(39-47-41-89-53-20-8-6-18-50(47)53)92-64(102)43-91-65(103)52(79)37-46-27-29-49(101)30-28-46)68(106)94-55(23-12-32-86-75(80)81)66(104)93-56(24-13-33-87-76(82)83)67(105)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,91,103)(H,92,102)(H,93,104)(H,94,106)(H,95,109)(H,96,110)(H,97,107)(H,98,108)(H,99,105)(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
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| 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 | |
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