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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50545396   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545396
PNG
(CHEMBL4638691)
Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545396
PNG
(CHEMBL4638691)
Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1
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Article
PubMed
437n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545396
PNG
(CHEMBL4638691)
Show SMILES NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H39N7O6/c1-19(30(36)42)29(28-9-5-15-46-28)40-33(45)27(17-21-18-37-25-7-3-2-6-23(21)25)39-32(44)26(8-4-14-34)38-31(43)24(35)16-20-10-12-22(41)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,37,41H,1,4,8,14,16-17,34-35H2,(H2,36,42)(H,38,43)(H,39,44)(H,40,45)/t24-,26+,27-,29+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair