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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50126000   
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))
BDBM50126000
PNG
((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O
Show InChI InChI=1S/C31H46N8O4/c1-18-8-5-9-19(2)22(18)16-24(32)28(41)38-25(12-7-14-37-31(34)35)30(43)39-26(29(42)36-15-13-27(33)40)17-23-20(3)10-6-11-21(23)4/h5-6,8-11,24-26H,7,12-17,32H2,1-4H3,(H2,33,40)(H,36,42)(H,38,41)(H,39,43)(H4,34,35,37)/t24-,25+,26-/m0/s1
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PC cid
PC sid
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Similars

PubMed
0.0216n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-DAMGO from mu opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50126000
PNG
((R)-2-[(S)-2-Amino-3-(2,6-dimethyl-phenyl)-propion...)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O
Show InChI InChI=1S/C31H46N8O4/c1-18-8-5-9-19(2)22(18)16-24(32)28(41)38-25(12-7-14-37-31(34)35)30(43)39-26(29(42)36-15-13-27(33)40)17-23-20(3)10-6-11-21(23)4/h5-6,8-11,24-26H,7,12-17,32H2,1-4H3,(H2,33,40)(H,36,42)(H,38,41)(H,39,43)(H4,34,35,37)/t24-,25+,26-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.69E+3n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-deltorphin II from delta opioid receptor


Bioorg Med Chem Lett 13: 1269-72 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TQ5
More data for this
Ligand-Target Pair