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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 = 'BDBM50199929'   
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))
BDBM50199929
PNG
(3-((7R,8R,9alphaR)-2-(3-hydroxybenzyl)-7,8-dimethy...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-10-9-24(15-18-5-3-7-21(26)11-18)16-20(25)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,20,26-27H,9-10,13-16H2,1-2H3/t17-,20+,23+/m0/s1
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Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50199929
PNG
(3-((7R,8R,9alphaR)-2-(3-hydroxybenzyl)-7,8-dimethy...)
Show SMILES C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-10-9-24(15-18-5-3-7-21(26)11-18)16-20(25)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,20,26-27H,9-10,13-16H2,1-2H3/t17-,20+,23+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Antagonist activity assessed as inhibition of loperamide-stimulated [35S]GTPgammaS binding to human mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair