Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50121680' 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)) | BDBM50121680
(CHEMBL3616943)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H116N24O17S/c1-45(97-70(113)55(84)34-47-25-27-51(107)28-26-47)68(111)95-41-66(109)98-58(35-46-14-3-2-4-15-46)71(114)94-40-60(76(119)104-43-50-18-6-5-16-48(50)36-65(104)78(121)106-61-23-8-7-17-49(61)37-64(106)74(117)101-57(79(122)123)22-11-31-93-82(89)90)102-72(115)59(39-53-19-13-33-124-53)99-67(110)42-96-73(116)63-38-52(108)44-105(63)77(120)62-24-12-32-103(62)75(118)56(21-10-30-92-81(87)88)100-69(112)54(83)20-9-29-91-80(85)86/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,107-108H,7-12,17,20-24,29-32,34-44,83-84H2,1H3,(H,94,114)(H,95,111)(H,96,116)(H,97,113)(H,98,109)(H,99,110)(H,100,112)(H,101,117)(H,102,115)(H,122,123)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t45-,49?,52?,54-,55+,56+,57+,58+,59?,60?,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | 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 opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121680
(CHEMBL3616943)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H116N24O17S/c1-45(97-70(113)55(84)34-47-25-27-51(107)28-26-47)68(111)95-41-66(109)98-58(35-46-14-3-2-4-15-46)71(114)94-40-60(76(119)104-43-50-18-6-5-16-48(50)36-65(104)78(121)106-61-23-8-7-17-49(61)37-64(106)74(117)101-57(79(122)123)22-11-31-93-82(89)90)102-72(115)59(39-53-19-13-33-124-53)99-67(110)42-96-73(116)63-38-52(108)44-105(63)77(120)62-24-12-32-103(62)75(118)56(21-10-30-92-81(87)88)100-69(112)54(83)20-9-29-91-80(85)86/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,107-108H,7-12,17,20-24,29-32,34-44,83-84H2,1H3,(H,94,114)(H,95,111)(H,96,116)(H,97,113)(H,98,109)(H,99,110)(H,100,112)(H,101,117)(H,102,115)(H,122,123)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t45-,49?,52?,54-,55+,56+,57+,58+,59?,60?,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.603 | 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 opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
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