Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50491860' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50491860
(CHEMBL2387215)Show SMILES CC(C)C[C@H](NC(=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](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C86H122ClN21O15/c1-52(2)45-69(105-81(119)70(49-58-28-30-59(87)31-29-58)100-73(111)51-98-75(113)55(5)99-76(114)64(88)50-63-53(3)46-62(109)47-54(63)4)80(118)102-66(27-18-40-95-85(92)93)77(115)101-65(26-17-39-94-84(90)91)78(116)103-67(32-33-72(89)110)79(117)106-71(48-57-21-11-7-12-22-57)82(120)104-68(83(121)122)25-15-16-38-96-86(123)97-41-34-74(112)108(60-23-13-8-14-24-60)61-36-43-107(44-37-61)42-35-56-19-9-6-10-20-56/h6-14,19-24,28-31,46-47,52,55,61,64-71,109H,15-18,25-27,32-45,48-51,88H2,1-5H3,(H2,89,110)(H,98,113)(H,99,114)(H,100,111)(H,101,115)(H,102,118)(H,103,116)(H,104,120)(H,105,119)(H,106,117)(H,121,122)(H4,90,91,94)(H4,92,93,95)(H2,96,97,123)/t55-,64+,65-,66+,67+,68+,69+,70+,71+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | 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]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes |
Bioorg Med Chem Lett 23: 3434-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50491860
(CHEMBL2387215)Show SMILES CC(C)C[C@H](NC(=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](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C86H122ClN21O15/c1-52(2)45-69(105-81(119)70(49-58-28-30-59(87)31-29-58)100-73(111)51-98-75(113)55(5)99-76(114)64(88)50-63-53(3)46-62(109)47-54(63)4)80(118)102-66(27-18-40-95-85(92)93)77(115)101-65(26-17-39-94-84(90)91)78(116)103-67(32-33-72(89)110)79(117)106-71(48-57-21-11-7-12-22-57)82(120)104-68(83(121)122)25-15-16-38-96-86(123)97-41-34-74(112)108(60-23-13-8-14-24-60)61-36-43-107(44-37-61)42-35-56-19-9-6-10-20-56/h6-14,19-24,28-31,46-47,52,55,61,64-71,109H,15-18,25-27,32-45,48-51,88H2,1-5H3,(H2,89,110)(H,98,113)(H,99,114)(H,100,111)(H,101,115)(H,102,118)(H,103,116)(H,104,120)(H,105,119)(H,106,117)(H,121,122)(H4,90,91,94)(H4,92,93,95)(H2,96,97,123)/t55-,64+,65-,66+,67+,68+,69+,70+,71+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
Bioorg Med Chem Lett 23: 3434-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50491860
(CHEMBL2387215)Show SMILES CC(C)C[C@H](NC(=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](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C86H122ClN21O15/c1-52(2)45-69(105-81(119)70(49-58-28-30-59(87)31-29-58)100-73(111)51-98-75(113)55(5)99-76(114)64(88)50-63-53(3)46-62(109)47-54(63)4)80(118)102-66(27-18-40-95-85(92)93)77(115)101-65(26-17-39-94-84(90)91)78(116)103-67(32-33-72(89)110)79(117)106-71(48-57-21-11-7-12-22-57)82(120)104-68(83(121)122)25-15-16-38-96-86(123)97-41-34-74(112)108(60-23-13-8-14-24-60)61-36-43-107(44-37-61)42-35-56-19-9-6-10-20-56/h6-14,19-24,28-31,46-47,52,55,61,64-71,109H,15-18,25-27,32-45,48-51,88H2,1-5H3,(H2,89,110)(H,98,113)(H,99,114)(H,100,111)(H,101,115)(H,102,118)(H,103,116)(H,104,120)(H,105,119)(H,106,117)(H,121,122)(H4,90,91,94)(H4,92,93,95)(H2,96,97,123)/t55-,64+,65-,66+,67+,68+,69+,70+,71+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem Lett 23: 3434-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM |
More data for this
Ligand-Target Pair | |
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