Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50491869' 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)) | BDBM50491869
(CHEMBL2387328)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r| Show InChI InChI=1S/C62H72ClF5N10O9/c1-37(73-60(85)46(69)33-39-18-22-44(79)23-19-39)59(84)72-36-51(81)74-49(34-40-16-20-41(63)21-17-40)62(87)75-47(61(86)76-48(58(70)83)35-45-53(64)55(66)57(68)56(67)54(45)65)24-25-50(80)71-29-10-4-9-15-52(82)78(42-13-7-3-8-14-42)43-27-31-77(32-28-43)30-26-38-11-5-2-6-12-38/h2-3,5-8,11-14,16-23,37,43,46-49,79H,4,9-10,15,24-36,69H2,1H3,(H2,70,83)(H,71,80)(H,72,84)(H,73,85)(H,74,81)(H,75,87)(H,76,86)/t37-,46+,47+,48+,49+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 0.510 | 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) | BDBM50491869
(CHEMBL2387328)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r| Show InChI InChI=1S/C62H72ClF5N10O9/c1-37(73-60(85)46(69)33-39-18-22-44(79)23-19-39)59(84)72-36-51(81)74-49(34-40-16-20-41(63)21-17-40)62(87)75-47(61(86)76-48(58(70)83)35-45-53(64)55(66)57(68)56(67)54(45)65)24-25-50(80)71-29-10-4-9-15-52(82)78(42-13-7-3-8-14-42)43-27-31-77(32-28-43)30-26-38-11-5-2-6-12-38/h2-3,5-8,11-14,16-23,37,43,46-49,79H,4,9-10,15,24-36,69H2,1H3,(H2,70,83)(H,71,80)(H,72,84)(H,73,85)(H,74,81)(H,75,87)(H,76,86)/t37-,46+,47+,48+,49+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.80 | 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)) | BDBM50491869
(CHEMBL2387328)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCC(=O)NCCCCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(N)=O |r| Show InChI InChI=1S/C62H72ClF5N10O9/c1-37(73-60(85)46(69)33-39-18-22-44(79)23-19-39)59(84)72-36-51(81)74-49(34-40-16-20-41(63)21-17-40)62(87)75-47(61(86)76-48(58(70)83)35-45-53(64)55(66)57(68)56(67)54(45)65)24-25-50(80)71-29-10-4-9-15-52(82)78(42-13-7-3-8-14-42)43-27-31-77(32-28-43)30-26-38-11-5-2-6-12-38/h2-3,5-8,11-14,16-23,37,43,46-49,79H,4,9-10,15,24-36,69H2,1H3,(H2,70,83)(H,71,80)(H,72,84)(H,73,85)(H,74,81)(H,75,87)(H,76,86)/t37-,46+,47+,48+,49+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.10 | 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 | |