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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50545386   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545386
PNG
(CHEMBL4644694)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
8.70n/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))
BDBM50545386
PNG
(CHEMBL4644694)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50545386
PNG
(CHEMBL4644694)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C32H39N7O7/c1-19(28(34)41)27(26-10-6-16-46-26)39-31(44)25(18-20-7-3-2-4-8-20)38-30(43)24(9-5-15-36-32(35)45)37-29(42)23(33)17-21-11-13-22(40)14-12-21/h2-4,6-8,10-14,16,23-25,27,40H,1,5,9,15,17-18,33H2,(H2,34,41)(H,37,42)(H,38,43)(H,39,44)(H3,35,36,45)/t23-,24+,25-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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]-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