Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50046630 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)) | BDBM50122099
(CHEMBL3617471)Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r| Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | 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] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122064
(CHEMBL3617470)Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122051
(CHEMBL3617467)Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(39-14-8-5-9-15-39)32-36-23-25-55(26-24-36)31-37-19-22-41-38(27-37)13-10-16-43(41)54-49(62)44(29-34-11-6-4-7-12-34)53-45(58)30-51-47(60)33(2)52-48(61)42(50)28-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,27,33,36,42-44,57H,3,10,13,16,23-26,28-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | 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] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122060
(CHEMBL3617469)Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C48H59N7O6/c1-3-45(58)55(37-14-8-5-9-15-37)38-23-25-54(26-24-38)31-35-19-22-40-36(27-35)13-10-16-42(40)53-48(61)43(29-33-11-6-4-7-12-33)52-44(57)30-50-46(59)32(2)51-47(60)41(49)28-34-17-20-39(56)21-18-34/h4-9,11-12,14-15,17-22,27,32,38,41-43,56H,3,10,13,16,23-26,28-31,49H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t32-,41+,42-,43+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 370 | 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] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122052
(CHEMBL3617468)Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(38-14-8-5-9-15-38)39-24-27-55(28-25-39)26-23-36-19-22-41-37(29-36)13-10-16-43(41)54-49(62)44(31-34-11-6-4-7-12-34)53-45(58)32-51-47(60)33(2)52-48(61)42(50)30-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,29,33,39,42-44,57H,3,10,13,16,23-28,30-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 720 | 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] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122037
(CHEMBL3614082)Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+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
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122038
(CHEMBL3614059)Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-8-4-3-5-9-22)23-14-17-28(18-15-23)16-13-20-11-12-24-21(19-20)7-6-10-25(24)27/h3-5,8-9,11-12,19,23,25H,2,6-7,10,13-18,27H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+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
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122045
(CHEMBL3614086)Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C25H33N3O/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+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
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122037
(CHEMBL3614082)Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.275 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122099
(CHEMBL3617471)Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r| Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122064
(CHEMBL3617470)Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122051
(CHEMBL3617467)Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(39-14-8-5-9-15-39)32-36-23-25-55(26-24-36)31-37-19-22-41-38(27-37)13-10-16-43(41)54-49(62)44(29-34-11-6-4-7-12-34)53-45(58)30-51-47(60)33(2)52-48(61)42(50)28-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,27,33,36,42-44,57H,3,10,13,16,23-26,28-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 692 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122060
(CHEMBL3617469)Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C48H59N7O6/c1-3-45(58)55(37-14-8-5-9-15-37)38-23-25-54(26-24-38)31-35-19-22-40-36(27-35)13-10-16-42(40)53-48(61)43(29-33-11-6-4-7-12-33)52-44(57)30-50-46(59)32(2)51-47(60)41(49)28-34-17-20-39(56)21-18-34/h4-9,11-12,14-15,17-22,27,32,38,41-43,56H,3,10,13,16,23-26,28-31,49H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t32-,41+,42-,43+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122052
(CHEMBL3617468)Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(38-14-8-5-9-15-38)39-24-27-55(28-25-39)26-23-36-19-22-41-37(29-36)13-10-16-43(41)54-49(62)44(31-34-11-6-4-7-12-34)53-45(58)32-51-47(60)33(2)52-48(61)42(50)30-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,29,33,39,42-44,57H,3,10,13,16,23-28,30-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
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