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PubMed code 21667972

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50350090
PNG
(CHEMBL1813662)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]-[#8]
Show InChI InChI=1S/C19H28O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h8-10,12,20-22H,4-7,11,13H2,1-3H3/b9-8+
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PC sid
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PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350092
PNG
(CHEMBL1811938)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]=O
Show InChI InChI=1S/C19H26O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h8-10,12-13,21-22H,4-7,11H2,1-3H3/b9-8+
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PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350089
PNG
(CHEMBL1813666)
Show SMILES [#6]\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]=O
Show InChI InChI=1S/C19H22O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h4-10,12-13,21-22H,11H2,1-3H3/b5-4+,7-6+,9-8+
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n/an/a 1.52E+4n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO-K1 cells after 90 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350089
PNG
(CHEMBL1813666)
Show SMILES [#6]\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]=O
Show InChI InChI=1S/C19H22O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h4-10,12-13,21-22H,11H2,1-3H3/b5-4+,7-6+,9-8+
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n/an/a 1.99E+4n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO-K1 cells after 90 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350091
PNG
(CHEMBL1813663)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\c1c2-[#6]-[#6](-[#8])-[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]
Show InChI InChI=1S/C20H28O3/c1-4-5-6-7-8-9-16-17-13-19(22)23-20(17)15(12-18(16)21)11-10-14(2)3/h8-10,12,19,21-22H,4-7,11,13H2,1-3H3/b9-8+
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n/an/a 3.24E+4n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-Binaltorphimine from human kappa opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%