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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 = 'BDBM50451820'   
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))
BDBM50451820
PNG
(CHEMBL3085267)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6|
Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.200n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50451820
PNG
(CHEMBL3085267)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6|
Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
10n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair