Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50009304 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 |
|---|
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526893
(CHEMBL4586954)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526891
(CHEMBL4473632)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)| Show InChI InChI=1S/C58H66F2N10O10S2.2C2HF3O2/c59-41-13-5-37(6-14-41)27-47-57(79)69-21-23-70(24-22-69)58(80)48(28-38-7-15-42(60)16-8-38)66-52(74)30-64-56(78)50(68-54(76)46(62)26-36-11-19-44(72)20-12-36)34-82-32-40-4-2-1-3-39(40)31-81-33-49(55(77)63-29-51(73)65-47)67-53(75)45(61)25-35-9-17-43(71)18-10-35;2*3-2(4,5)1(6)7/h1-20,45-50,71-72H,21-34,61-62H2,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526894
(CHEMBL4539430)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C58H68F2N10O10S2.2C2HF3O2/c1-31-17-41(71)18-32(2)43(31)23-45(61)53(75)67-49-29-81-27-37-7-5-6-8-38(37)28-82-30-50(68-54(76)46(62)24-44-33(3)19-42(72)20-34(44)4)56(78)64-26-52(74)66-48(22-36-11-15-40(60)16-12-36)58(80)70-69-57(79)47(65-51(73)25-63-55(49)77)21-35-9-13-39(59)14-10-35;2*3-2(4,5)1(6)7/h5-20,45-50,71-72H,21-30,61-62H2,1-4H3,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,79)(H,70,80);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50526894
(CHEMBL4539430)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C58H68F2N10O10S2.2C2HF3O2/c1-31-17-41(71)18-32(2)43(31)23-45(61)53(75)67-49-29-81-27-37-7-5-6-8-38(37)28-82-30-50(68-54(76)46(62)24-44-33(3)19-42(72)20-34(44)4)56(78)64-26-52(74)66-48(22-36-11-15-40(60)16-12-36)58(80)70-69-57(79)47(65-51(73)25-63-55(49)77)21-35-9-13-39(59)14-10-35;2*3-2(4,5)1(6)7/h5-20,45-50,71-72H,21-30,61-62H2,1-4H3,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,79)(H,70,80);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50526893
(CHEMBL4586954)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50526891
(CHEMBL4473632)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)| Show InChI InChI=1S/C58H66F2N10O10S2.2C2HF3O2/c59-41-13-5-37(6-14-41)27-47-57(79)69-21-23-70(24-22-69)58(80)48(28-38-7-15-42(60)16-8-38)66-52(74)30-64-56(78)50(68-54(76)46(62)26-36-11-19-44(72)20-12-36)34-82-32-40-4-2-1-3-39(40)31-81-33-49(55(77)63-29-51(73)65-47)67-53(75)45(61)25-35-9-17-43(71)18-10-35;2*3-2(4,5)1(6)7/h1-20,45-50,71-72H,21-34,61-62H2,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000296
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526892
(CHEMBL4551481)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,72.74,36.36,wD:53.53,32.31,(34.88,-40.7,;33.52,-39.92,;33.52,-38.35,;32.16,-40.7,;30.8,-39.92,;32.16,-42.27,;30.8,-41.48,;15.86,-46.31,;14.5,-45.53,;14.5,-43.96,;13.14,-46.31,;11.78,-45.53,;13.14,-47.88,;11.77,-47.09,;10.88,-39.84,;12.21,-39.06,;12.21,-37.52,;10.88,-36.76,;10.89,-35.22,;9.55,-34.45,;8.22,-35.22,;6.88,-34.45,;8.23,-36.77,;9.55,-37.52,;13.55,-39.84,;13.55,-41.38,;14.88,-39.06,;16.21,-39.84,;16.2,-41.41,;17.41,-42.61,;19.59,-44.11,;21.55,-44.45,;22.89,-43.66,;24.23,-44.42,;25.56,-43.65,;25.55,-42.11,;26.89,-44.41,;28.22,-43.64,;26.9,-45.95,;28.25,-46.73,;28.25,-48.29,;29.61,-49.06,;30.96,-48.28,;32.32,-49.05,;30.94,-46.71,;29.59,-45.94,;22.89,-42.12,;24.21,-41.34,;21.55,-41.36,;21.54,-39.82,;22.87,-39.05,;24.21,-39.81,;22.87,-37.5,;24.19,-36.73,;25.54,-37.5,;26.86,-36.72,;28.19,-37.49,;29.51,-36.71,;29.51,-35.17,;30.83,-34.39,;28.17,-34.41,;26.84,-35.19,;24.19,-35.19,;25.53,-34.41,;22.85,-34.43,;21.52,-35.2,;20.19,-34.44,;20.18,-32.9,;21.51,-32.13,;22.85,-32.89,;18.84,-32.14,;18.83,-30.59,;17.52,-32.91,;16.18,-32.15,;16.17,-30.61,;17.5,-29.84,;17.5,-28.31,;16.16,-27.54,;16.15,-26,;14.83,-28.33,;14.84,-29.86,;17.52,-34.45,;16.19,-35.23,;14.86,-34.46,;16.2,-36.77,;17.54,-37.52,;17.54,-39.06,;18.88,-39.83,)| Show InChI InChI=1S/C50H58F2N10O10S2.2C2HF3O2/c51-33-9-1-31(2-10-33)23-39-49(71)61-17-19-62(20-18-61)50(72)40(24-32-3-11-34(52)12-4-32)58-44(66)26-56-48(70)42(60-46(68)38(54)22-30-7-15-36(64)16-8-30)28-74-73-27-41(47(69)55-25-43(65)57-39)59-45(67)37(53)21-29-5-13-35(63)14-6-29;2*3-2(4,5)1(6)7/h1-16,37-42,63-64H,17-28,53-54H2,(H,55,69)(H,56,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68);2*(H,6,7)/t37-,38-,39-,40-,41+,42+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50526894
(CHEMBL4539430)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C58H68F2N10O10S2.2C2HF3O2/c1-31-17-41(71)18-32(2)43(31)23-45(61)53(75)67-49-29-81-27-37-7-5-6-8-38(37)28-82-30-50(68-54(76)46(62)24-44-33(3)19-42(72)20-34(44)4)56(78)64-26-52(74)66-48(22-36-11-15-40(60)16-12-36)58(80)70-69-57(79)47(65-51(73)25-63-55(49)77)21-35-9-13-39(59)14-10-35;2*3-2(4,5)1(6)7/h5-20,45-50,71-72H,21-30,61-62H2,1-4H3,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,79)(H,70,80);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50526892
(CHEMBL4551481)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,72.74,36.36,wD:53.53,32.31,(34.88,-40.7,;33.52,-39.92,;33.52,-38.35,;32.16,-40.7,;30.8,-39.92,;32.16,-42.27,;30.8,-41.48,;15.86,-46.31,;14.5,-45.53,;14.5,-43.96,;13.14,-46.31,;11.78,-45.53,;13.14,-47.88,;11.77,-47.09,;10.88,-39.84,;12.21,-39.06,;12.21,-37.52,;10.88,-36.76,;10.89,-35.22,;9.55,-34.45,;8.22,-35.22,;6.88,-34.45,;8.23,-36.77,;9.55,-37.52,;13.55,-39.84,;13.55,-41.38,;14.88,-39.06,;16.21,-39.84,;16.2,-41.41,;17.41,-42.61,;19.59,-44.11,;21.55,-44.45,;22.89,-43.66,;24.23,-44.42,;25.56,-43.65,;25.55,-42.11,;26.89,-44.41,;28.22,-43.64,;26.9,-45.95,;28.25,-46.73,;28.25,-48.29,;29.61,-49.06,;30.96,-48.28,;32.32,-49.05,;30.94,-46.71,;29.59,-45.94,;22.89,-42.12,;24.21,-41.34,;21.55,-41.36,;21.54,-39.82,;22.87,-39.05,;24.21,-39.81,;22.87,-37.5,;24.19,-36.73,;25.54,-37.5,;26.86,-36.72,;28.19,-37.49,;29.51,-36.71,;29.51,-35.17,;30.83,-34.39,;28.17,-34.41,;26.84,-35.19,;24.19,-35.19,;25.53,-34.41,;22.85,-34.43,;21.52,-35.2,;20.19,-34.44,;20.18,-32.9,;21.51,-32.13,;22.85,-32.89,;18.84,-32.14,;18.83,-30.59,;17.52,-32.91,;16.18,-32.15,;16.17,-30.61,;17.5,-29.84,;17.5,-28.31,;16.16,-27.54,;16.15,-26,;14.83,-28.33,;14.84,-29.86,;17.52,-34.45,;16.19,-35.23,;14.86,-34.46,;16.2,-36.77,;17.54,-37.52,;17.54,-39.06,;18.88,-39.83,)| Show InChI InChI=1S/C50H58F2N10O10S2.2C2HF3O2/c51-33-9-1-31(2-10-33)23-39-49(71)61-17-19-62(20-18-61)50(72)40(24-32-3-11-34(52)12-4-32)58-44(66)26-56-48(70)42(60-46(68)38(54)22-30-7-15-36(64)16-8-30)28-74-73-27-41(47(69)55-25-43(65)57-39)59-45(67)37(53)21-29-5-13-35(63)14-6-29;2*3-2(4,5)1(6)7/h1-16,37-42,63-64H,17-28,53-54H2,(H,55,69)(H,56,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68);2*(H,6,7)/t37-,38-,39-,40-,41+,42+;;/m0../s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50526891
(CHEMBL4473632)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)| Show InChI InChI=1S/C58H66F2N10O10S2.2C2HF3O2/c59-41-13-5-37(6-14-41)27-47-57(79)69-21-23-70(24-22-69)58(80)48(28-38-7-15-42(60)16-8-38)66-52(74)30-64-56(78)50(68-54(76)46(62)26-36-11-19-44(72)20-12-36)34-82-32-40-4-2-1-3-39(40)31-81-33-49(55(77)63-29-51(73)65-47)67-53(75)45(61)25-35-9-17-43(71)18-10-35;2*3-2(4,5)1(6)7/h1-20,45-50,71-72H,21-34,61-62H2,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50526892
(CHEMBL4551481)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,72.74,36.36,wD:53.53,32.31,(34.88,-40.7,;33.52,-39.92,;33.52,-38.35,;32.16,-40.7,;30.8,-39.92,;32.16,-42.27,;30.8,-41.48,;15.86,-46.31,;14.5,-45.53,;14.5,-43.96,;13.14,-46.31,;11.78,-45.53,;13.14,-47.88,;11.77,-47.09,;10.88,-39.84,;12.21,-39.06,;12.21,-37.52,;10.88,-36.76,;10.89,-35.22,;9.55,-34.45,;8.22,-35.22,;6.88,-34.45,;8.23,-36.77,;9.55,-37.52,;13.55,-39.84,;13.55,-41.38,;14.88,-39.06,;16.21,-39.84,;16.2,-41.41,;17.41,-42.61,;19.59,-44.11,;21.55,-44.45,;22.89,-43.66,;24.23,-44.42,;25.56,-43.65,;25.55,-42.11,;26.89,-44.41,;28.22,-43.64,;26.9,-45.95,;28.25,-46.73,;28.25,-48.29,;29.61,-49.06,;30.96,-48.28,;32.32,-49.05,;30.94,-46.71,;29.59,-45.94,;22.89,-42.12,;24.21,-41.34,;21.55,-41.36,;21.54,-39.82,;22.87,-39.05,;24.21,-39.81,;22.87,-37.5,;24.19,-36.73,;25.54,-37.5,;26.86,-36.72,;28.19,-37.49,;29.51,-36.71,;29.51,-35.17,;30.83,-34.39,;28.17,-34.41,;26.84,-35.19,;24.19,-35.19,;25.53,-34.41,;22.85,-34.43,;21.52,-35.2,;20.19,-34.44,;20.18,-32.9,;21.51,-32.13,;22.85,-32.89,;18.84,-32.14,;18.83,-30.59,;17.52,-32.91,;16.18,-32.15,;16.17,-30.61,;17.5,-29.84,;17.5,-28.31,;16.16,-27.54,;16.15,-26,;14.83,-28.33,;14.84,-29.86,;17.52,-34.45,;16.19,-35.23,;14.86,-34.46,;16.2,-36.77,;17.54,-37.52,;17.54,-39.06,;18.88,-39.83,)| Show InChI InChI=1S/C50H58F2N10O10S2.2C2HF3O2/c51-33-9-1-31(2-10-33)23-39-49(71)61-17-19-62(20-18-61)50(72)40(24-32-3-11-34(52)12-4-32)58-44(66)26-56-48(70)42(60-46(68)38(54)22-30-7-15-36(64)16-8-30)28-74-73-27-41(47(69)55-25-43(65)57-39)59-45(67)37(53)21-29-5-13-35(63)14-6-29;2*3-2(4,5)1(6)7/h1-16,37-42,63-64H,17-28,53-54H2,(H,55,69)(H,56,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68);2*(H,6,7)/t37-,38-,39-,40-,41+,42+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50526893
(CHEMBL4586954)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 293 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526893
(CHEMBL4586954)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Antagonist activity at human DOR expressed in CHO cell membranes assessed as reduction in SNC80-induced response incubated for 1 hr by [35S]-GTPgamma... |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Antagonist activity at human DOR expressed in CHO cell membranes assessed as reduction in SNC80-induced response incubated for 1 hr by [35S]-GTPgamma... |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526892
(CHEMBL4551481)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,72.74,36.36,wD:53.53,32.31,(34.88,-40.7,;33.52,-39.92,;33.52,-38.35,;32.16,-40.7,;30.8,-39.92,;32.16,-42.27,;30.8,-41.48,;15.86,-46.31,;14.5,-45.53,;14.5,-43.96,;13.14,-46.31,;11.78,-45.53,;13.14,-47.88,;11.77,-47.09,;10.88,-39.84,;12.21,-39.06,;12.21,-37.52,;10.88,-36.76,;10.89,-35.22,;9.55,-34.45,;8.22,-35.22,;6.88,-34.45,;8.23,-36.77,;9.55,-37.52,;13.55,-39.84,;13.55,-41.38,;14.88,-39.06,;16.21,-39.84,;16.2,-41.41,;17.41,-42.61,;19.59,-44.11,;21.55,-44.45,;22.89,-43.66,;24.23,-44.42,;25.56,-43.65,;25.55,-42.11,;26.89,-44.41,;28.22,-43.64,;26.9,-45.95,;28.25,-46.73,;28.25,-48.29,;29.61,-49.06,;30.96,-48.28,;32.32,-49.05,;30.94,-46.71,;29.59,-45.94,;22.89,-42.12,;24.21,-41.34,;21.55,-41.36,;21.54,-39.82,;22.87,-39.05,;24.21,-39.81,;22.87,-37.5,;24.19,-36.73,;25.54,-37.5,;26.86,-36.72,;28.19,-37.49,;29.51,-36.71,;29.51,-35.17,;30.83,-34.39,;28.17,-34.41,;26.84,-35.19,;24.19,-35.19,;25.53,-34.41,;22.85,-34.43,;21.52,-35.2,;20.19,-34.44,;20.18,-32.9,;21.51,-32.13,;22.85,-32.89,;18.84,-32.14,;18.83,-30.59,;17.52,-32.91,;16.18,-32.15,;16.17,-30.61,;17.5,-29.84,;17.5,-28.31,;16.16,-27.54,;16.15,-26,;14.83,-28.33,;14.84,-29.86,;17.52,-34.45,;16.19,-35.23,;14.86,-34.46,;16.2,-36.77,;17.54,-37.52,;17.54,-39.06,;18.88,-39.83,)| Show InChI InChI=1S/C50H58F2N10O10S2.2C2HF3O2/c51-33-9-1-31(2-10-33)23-39-49(71)61-17-19-62(20-18-61)50(72)40(24-32-3-11-34(52)12-4-32)58-44(66)26-56-48(70)42(60-46(68)38(54)22-30-7-15-36(64)16-8-30)28-74-73-27-41(47(69)55-25-43(65)57-39)59-45(67)37(53)21-29-5-13-35(63)14-6-29;2*3-2(4,5)1(6)7/h1-16,37-42,63-64H,17-28,53-54H2,(H,55,69)(H,56,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68);2*(H,6,7)/t37-,38-,39-,40-,41+,42+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 404 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Antagonist activity at human DOR expressed in CHO cell membranes assessed as reduction in SNC80-induced response incubated for 1 hr by [35S]-GTPgamma... |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50526894
(CHEMBL4539430)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C58H68F2N10O10S2.2C2HF3O2/c1-31-17-41(71)18-32(2)43(31)23-45(61)53(75)67-49-29-81-27-37-7-5-6-8-38(37)28-82-30-50(68-54(76)46(62)24-44-33(3)19-42(72)20-34(44)4)56(78)64-26-52(74)66-48(22-36-11-15-40(60)16-12-36)58(80)70-69-57(79)47(65-51(73)25-63-55(49)77)21-35-9-13-39(59)14-10-35;2*3-2(4,5)1(6)7/h5-20,45-50,71-72H,21-30,61-62H2,1-4H3,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,79)(H,70,80);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <0.510 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526891
(CHEMBL4473632)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)| Show InChI InChI=1S/C58H66F2N10O10S2.2C2HF3O2/c59-41-13-5-37(6-14-41)27-47-57(79)69-21-23-70(24-22-69)58(80)48(28-38-7-15-42(60)16-8-38)66-52(74)30-64-56(78)50(68-54(76)46(62)26-36-11-19-44(72)20-12-36)34-82-32-40-4-2-1-3-39(40)31-81-33-49(55(77)63-29-51(73)65-47)67-53(75)45(61)25-35-9-17-43(71)18-10-35;2*3-2(4,5)1(6)7/h1-20,45-50,71-72H,21-34,61-62H2,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human DOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50526891
(CHEMBL4473632)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)| Show InChI InChI=1S/C58H66F2N10O10S2.2C2HF3O2/c59-41-13-5-37(6-14-41)27-47-57(79)69-21-23-70(24-22-69)58(80)48(28-38-7-15-42(60)16-8-38)66-52(74)30-64-56(78)50(68-54(76)46(62)26-36-11-19-44(72)20-12-36)34-82-32-40-4-2-1-3-39(40)31-81-33-49(55(77)63-29-51(73)65-47)67-53(75)45(61)25-35-9-17-43(71)18-10-35;2*3-2(4,5)1(6)7/h1-20,45-50,71-72H,21-34,61-62H2,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526894
(CHEMBL4539430)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C58H68F2N10O10S2.2C2HF3O2/c1-31-17-41(71)18-32(2)43(31)23-45(61)53(75)67-49-29-81-27-37-7-5-6-8-38(37)28-82-30-50(68-54(76)46(62)24-44-33(3)19-42(72)20-34(44)4)56(78)64-26-52(74)66-48(22-36-11-15-40(60)16-12-36)58(80)70-69-57(79)47(65-51(73)25-63-55(49)77)21-35-9-13-39(59)14-10-35;2*3-2(4,5)1(6)7/h5-20,45-50,71-72H,21-30,61-62H2,1-4H3,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,79)(H,70,80);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human DOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000296
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50526893
(CHEMBL4586954)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50526892
(CHEMBL4551481)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,72.74,36.36,wD:53.53,32.31,(34.88,-40.7,;33.52,-39.92,;33.52,-38.35,;32.16,-40.7,;30.8,-39.92,;32.16,-42.27,;30.8,-41.48,;15.86,-46.31,;14.5,-45.53,;14.5,-43.96,;13.14,-46.31,;11.78,-45.53,;13.14,-47.88,;11.77,-47.09,;10.88,-39.84,;12.21,-39.06,;12.21,-37.52,;10.88,-36.76,;10.89,-35.22,;9.55,-34.45,;8.22,-35.22,;6.88,-34.45,;8.23,-36.77,;9.55,-37.52,;13.55,-39.84,;13.55,-41.38,;14.88,-39.06,;16.21,-39.84,;16.2,-41.41,;17.41,-42.61,;19.59,-44.11,;21.55,-44.45,;22.89,-43.66,;24.23,-44.42,;25.56,-43.65,;25.55,-42.11,;26.89,-44.41,;28.22,-43.64,;26.9,-45.95,;28.25,-46.73,;28.25,-48.29,;29.61,-49.06,;30.96,-48.28,;32.32,-49.05,;30.94,-46.71,;29.59,-45.94,;22.89,-42.12,;24.21,-41.34,;21.55,-41.36,;21.54,-39.82,;22.87,-39.05,;24.21,-39.81,;22.87,-37.5,;24.19,-36.73,;25.54,-37.5,;26.86,-36.72,;28.19,-37.49,;29.51,-36.71,;29.51,-35.17,;30.83,-34.39,;28.17,-34.41,;26.84,-35.19,;24.19,-35.19,;25.53,-34.41,;22.85,-34.43,;21.52,-35.2,;20.19,-34.44,;20.18,-32.9,;21.51,-32.13,;22.85,-32.89,;18.84,-32.14,;18.83,-30.59,;17.52,-32.91,;16.18,-32.15,;16.17,-30.61,;17.5,-29.84,;17.5,-28.31,;16.16,-27.54,;16.15,-26,;14.83,-28.33,;14.84,-29.86,;17.52,-34.45,;16.19,-35.23,;14.86,-34.46,;16.2,-36.77,;17.54,-37.52,;17.54,-39.06,;18.88,-39.83,)| Show InChI InChI=1S/C50H58F2N10O10S2.2C2HF3O2/c51-33-9-1-31(2-10-33)23-39-49(71)61-17-19-62(20-18-61)50(72)40(24-32-3-11-34(52)12-4-32)58-44(66)26-56-48(70)42(60-46(68)38(54)22-30-7-15-36(64)16-8-30)28-74-73-27-41(47(69)55-25-43(65)57-39)59-45(67)37(53)21-29-5-13-35(63)14-6-29;2*3-2(4,5)1(6)7/h1-16,37-42,63-64H,17-28,53-54H2,(H,55,69)(H,56,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68);2*(H,6,7)/t37-,38-,39-,40-,41+,42+;;/m0../s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.20 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526893
(CHEMBL4586954)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 142 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human DOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526892
(CHEMBL4551481)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,72.74,36.36,wD:53.53,32.31,(34.88,-40.7,;33.52,-39.92,;33.52,-38.35,;32.16,-40.7,;30.8,-39.92,;32.16,-42.27,;30.8,-41.48,;15.86,-46.31,;14.5,-45.53,;14.5,-43.96,;13.14,-46.31,;11.78,-45.53,;13.14,-47.88,;11.77,-47.09,;10.88,-39.84,;12.21,-39.06,;12.21,-37.52,;10.88,-36.76,;10.89,-35.22,;9.55,-34.45,;8.22,-35.22,;6.88,-34.45,;8.23,-36.77,;9.55,-37.52,;13.55,-39.84,;13.55,-41.38,;14.88,-39.06,;16.21,-39.84,;16.2,-41.41,;17.41,-42.61,;19.59,-44.11,;21.55,-44.45,;22.89,-43.66,;24.23,-44.42,;25.56,-43.65,;25.55,-42.11,;26.89,-44.41,;28.22,-43.64,;26.9,-45.95,;28.25,-46.73,;28.25,-48.29,;29.61,-49.06,;30.96,-48.28,;32.32,-49.05,;30.94,-46.71,;29.59,-45.94,;22.89,-42.12,;24.21,-41.34,;21.55,-41.36,;21.54,-39.82,;22.87,-39.05,;24.21,-39.81,;22.87,-37.5,;24.19,-36.73,;25.54,-37.5,;26.86,-36.72,;28.19,-37.49,;29.51,-36.71,;29.51,-35.17,;30.83,-34.39,;28.17,-34.41,;26.84,-35.19,;24.19,-35.19,;25.53,-34.41,;22.85,-34.43,;21.52,-35.2,;20.19,-34.44,;20.18,-32.9,;21.51,-32.13,;22.85,-32.89,;18.84,-32.14,;18.83,-30.59,;17.52,-32.91,;16.18,-32.15,;16.17,-30.61,;17.5,-29.84,;17.5,-28.31,;16.16,-27.54,;16.15,-26,;14.83,-28.33,;14.84,-29.86,;17.52,-34.45,;16.19,-35.23,;14.86,-34.46,;16.2,-36.77,;17.54,-37.52,;17.54,-39.06,;18.88,-39.83,)| Show InChI InChI=1S/C50H58F2N10O10S2.2C2HF3O2/c51-33-9-1-31(2-10-33)23-39-49(71)61-17-19-62(20-18-61)50(72)40(24-32-3-11-34(52)12-4-32)58-44(66)26-56-48(70)42(60-46(68)38(54)22-30-7-15-36(64)16-8-30)28-74-73-27-41(47(69)55-25-43(65)57-39)59-45(67)37(53)21-29-5-13-35(63)14-6-29;2*3-2(4,5)1(6)7/h1-16,37-42,63-64H,17-28,53-54H2,(H,55,69)(H,56,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68);2*(H,6,7)/t37-,38-,39-,40-,41+,42+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human DOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50039029
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human DOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50526894
(CHEMBL4539430)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C58H68F2N10O10S2.2C2HF3O2/c1-31-17-41(71)18-32(2)43(31)23-45(61)53(75)67-49-29-81-27-37-7-5-6-8-38(37)28-82-30-50(68-54(76)46(62)24-44-33(3)19-42(72)20-34(44)4)56(78)64-26-52(74)66-48(22-36-11-15-40(60)16-12-36)58(80)70-69-57(79)47(65-51(73)25-63-55(49)77)21-35-9-13-39(59)14-10-35;2*3-2(4,5)1(6)7/h5-20,45-50,71-72H,21-30,61-62H2,1-4H3,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,79)(H,70,80);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50526893
(CHEMBL4586954)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 806 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50526892
(CHEMBL4551481)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,72.74,36.36,wD:53.53,32.31,(34.88,-40.7,;33.52,-39.92,;33.52,-38.35,;32.16,-40.7,;30.8,-39.92,;32.16,-42.27,;30.8,-41.48,;15.86,-46.31,;14.5,-45.53,;14.5,-43.96,;13.14,-46.31,;11.78,-45.53,;13.14,-47.88,;11.77,-47.09,;10.88,-39.84,;12.21,-39.06,;12.21,-37.52,;10.88,-36.76,;10.89,-35.22,;9.55,-34.45,;8.22,-35.22,;6.88,-34.45,;8.23,-36.77,;9.55,-37.52,;13.55,-39.84,;13.55,-41.38,;14.88,-39.06,;16.21,-39.84,;16.2,-41.41,;17.41,-42.61,;19.59,-44.11,;21.55,-44.45,;22.89,-43.66,;24.23,-44.42,;25.56,-43.65,;25.55,-42.11,;26.89,-44.41,;28.22,-43.64,;26.9,-45.95,;28.25,-46.73,;28.25,-48.29,;29.61,-49.06,;30.96,-48.28,;32.32,-49.05,;30.94,-46.71,;29.59,-45.94,;22.89,-42.12,;24.21,-41.34,;21.55,-41.36,;21.54,-39.82,;22.87,-39.05,;24.21,-39.81,;22.87,-37.5,;24.19,-36.73,;25.54,-37.5,;26.86,-36.72,;28.19,-37.49,;29.51,-36.71,;29.51,-35.17,;30.83,-34.39,;28.17,-34.41,;26.84,-35.19,;24.19,-35.19,;25.53,-34.41,;22.85,-34.43,;21.52,-35.2,;20.19,-34.44,;20.18,-32.9,;21.51,-32.13,;22.85,-32.89,;18.84,-32.14,;18.83,-30.59,;17.52,-32.91,;16.18,-32.15,;16.17,-30.61,;17.5,-29.84,;17.5,-28.31,;16.16,-27.54,;16.15,-26,;14.83,-28.33,;14.84,-29.86,;17.52,-34.45,;16.19,-35.23,;14.86,-34.46,;16.2,-36.77,;17.54,-37.52,;17.54,-39.06,;18.88,-39.83,)| Show InChI InChI=1S/C50H58F2N10O10S2.2C2HF3O2/c51-33-9-1-31(2-10-33)23-39-49(71)61-17-19-62(20-18-61)50(72)40(24-32-3-11-34(52)12-4-32)58-44(66)26-56-48(70)42(60-46(68)38(54)22-30-7-15-36(64)16-8-30)28-74-73-27-41(47(69)55-25-43(65)57-39)59-45(67)37(53)21-29-5-13-35(63)14-6-29;2*3-2(4,5)1(6)7/h1-16,37-42,63-64H,17-28,53-54H2,(H,55,69)(H,56,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68);2*(H,6,7)/t37-,38-,39-,40-,41+,42+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50526891
(CHEMBL4473632)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)| Show InChI InChI=1S/C58H66F2N10O10S2.2C2HF3O2/c59-41-13-5-37(6-14-41)27-47-57(79)69-21-23-70(24-22-69)58(80)48(28-38-7-15-42(60)16-8-38)66-52(74)30-64-56(78)50(68-54(76)46(62)26-36-11-19-44(72)20-12-36)34-82-32-40-4-2-1-3-39(40)31-81-33-49(55(77)63-29-51(73)65-47)67-53(75)45(61)25-35-9-17-43(71)18-10-35;2*3-2(4,5)1(6)7/h1-20,45-50,71-72H,21-34,61-62H2,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
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