Found 87 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499072
(CHEMBL4299476)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64BrF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499064
(CHEMBL4299483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64ClF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499068
(CHEMBL4299402)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F6IN9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(57,58)59)24-37(21-34)56(60,61)62)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(63)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499064
(CHEMBL4299483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64ClF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499072
(CHEMBL4299476)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64BrF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499064
(CHEMBL4299483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64ClF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499068
(CHEMBL4299402)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F6IN9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(57,58)59)24-37(21-34)56(60,61)62)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(63)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499068
(CHEMBL4299402)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F6IN9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(57,58)59)24-37(21-34)56(60,61)62)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(63)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499072
(CHEMBL4299476)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64BrF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
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 |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499064
(CHEMBL4299483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64ClF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,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
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499068
(CHEMBL4299402)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F6IN9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(57,58)59)24-37(21-34)56(60,61)62)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(63)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499072
(CHEMBL4299476)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64BrF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,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
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499064
(CHEMBL4299483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64ClF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50019056
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1 | PDB
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 | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by biolum... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by biolum... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/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 | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499064
(CHEMBL4299483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64ClF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499072
(CHEMBL4299476)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64BrF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50019056
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by bi... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499068
(CHEMBL4299402)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F6IN9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(57,58)59)24-37(21-34)56(60,61)62)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(63)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499072
(CHEMBL4299476)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64BrF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by biolum... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499064
(CHEMBL4299483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64ClF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499068
(CHEMBL4299402)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F6IN9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(57,58)59)24-37(21-34)56(60,61)62)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(63)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by biolum... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by bi... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499072
(CHEMBL4299476)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64BrF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by bi... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by bi... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499067
(CHEMBL4299479)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C54H60F7N9O8/c1-29(2)19-42(50(76)68-43(24-34-27-63-41-8-5-4-7-39(34)41)49(75)64-26-33-20-35(53(56,57)58)25-36(21-33)54(59,60)61)69-51(77)45-9-6-18-70(45)52(78)44(23-32-10-14-37(55)15-11-32)67-46(72)28-65-47(73)30(3)66-48(74)40(62)22-31-12-16-38(71)17-13-31/h4-5,7-8,10-17,20-21,25,27,29-30,40,42-45,63,71H,6,9,18-19,22-24,26,28,62H2,1-3H3,(H,64,75)(H,65,73)(H,66,74)(H,67,72)(H,68,76)(H,69,77)/t30-,40-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,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 | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499068
(CHEMBL4299402)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F6IN9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(57,58)59)24-37(21-34)56(60,61)62)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(63)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499064
(CHEMBL4299483)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64ClF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499065
(CHEMBL4299466)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C55H63F6N9O8/c1-31(2)21-43(51(76)67-44(26-36-29-63-42-14-9-8-13-40(36)42)50(75)64-28-35-22-37(54(56,57)58)27-38(23-35)55(59,60)61)68-52(77)45-15-10-20-70(45)53(78)46(25-33-11-6-5-7-12-33)69(4)47(72)30-65-48(73)32(3)66-49(74)41(62)24-34-16-18-39(71)19-17-34/h5-9,11-14,16-19,22-23,27,29,31-32,41,43-46,63,71H,10,15,20-21,24-26,28,30,62H2,1-4H3,(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,77)/t32-,41-,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 | 447 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499072
(CHEMBL4299476)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64BrF6N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
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