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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50159680'   
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))
BDBM50159680
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...)
Show SMILES Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.111n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to mu-Opioid receptor


J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50159680
PNG
((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...)
Show SMILES Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.31n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
In vitro inhibition of opioid receptor mu using isolated guinea pig ileum


J Med Chem 48: 586-92 (2005)


Article DOI: 10.1021/jm049384k
BindingDB Entry DOI: 10.7270/Q26T0M40
More data for this
Ligand-Target Pair