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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nociceptin/mu opioid receptor' and Ligand = 'BDBM50252418'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252418
PNG
((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-6,8-11,14-17,25-29,39H,7,12-13,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26+,27-,28+,29+/m1/s1
PDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252418
PNG
((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-6,8-11,14-17,25-29,39H,7,12-13,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26+,27-,28+,29+/m1/s1
PDB

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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
83n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]endomorphin-2 from mu opioid receptor in Wistar rat brain


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50252418
PNG
((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C33H39N5O5/c34-26(18-23-14-16-24(39)17-15-23)32(42)36-27-13-7-12-25(27)31(41)38-29(20-22-10-5-2-6-11-22)33(43)37-28(30(35)40)19-21-8-3-1-4-9-21/h1-6,8-11,14-17,25-29,39H,7,12-13,18-20,34H2,(H2,35,40)(H,36,42)(H,37,43)(H,38,41)/t25-,26+,27-,28+,29+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.08E+3n/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor in Wistar rat brain assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4270-9 (2008)


Article DOI: 10.1021/jm800223t
BindingDB Entry DOI: 10.7270/Q2QC038R
More data for this
Ligand-Target Pair