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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 = 'BDBM50170669'   
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


(Homo sapiens (Human))
BDBM50170669
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H31NO8/c1-27-11-9-18-25(32)36-21(16-10-12-35-15-16)14-28(18,2)23(27)22(30)20(13-19(27)24(31)34-3)37-26(33)29-17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3,(H,29,33)/t18-,19-,20-,21-,23-,27-,28-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of [125I]- IOXY binding to human Opioid receptor mu1


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50170669
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dim...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)Nc2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H31NO8/c1-27-11-9-18-25(32)36-21(16-10-12-35-15-16)14-28(18,2)23(27)22(30)20(13-19(27)24(31)34-3)37-26(33)29-17-7-5-4-6-8-17/h4-8,10,12,15,18-21,23H,9,11,13-14H2,1-3H3,(H,29,33)/t18-,19-,20-,21-,23-,27-,28-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 590n/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding to Opioid receptor mu1 expressed in CHO cells; ND = Not determined


J Med Chem 48: 4765-71 (2005)


Article DOI: 10.1021/jm048963m
BindingDB Entry DOI: 10.7270/Q2DN44KP
More data for this
Ligand-Target Pair