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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 = 'BDBM26919'   
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))
BDBM26919
PNG
(8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-tria...)
Show SMILES Clc1cccc(Cl)c1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C20H21Cl2N3O/c21-17-7-4-8-18(22)16(17)13-24-11-9-20(10-12-24)19(26)23-14-25(20)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,26)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM26919
PNG
(8-[(2,6-dichlorophenyl)methyl]-1-phenyl-1,3,8-tria...)
Show SMILES Clc1cccc(Cl)c1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C20H21Cl2N3O/c21-17-7-4-8-18(22)16(17)13-24-11-9-20(10-12-24)19(26)23-14-25(20)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair