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PubMed code 18977148

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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50273972
PNG
(CHEMBL461462 | Lissoclinidine B)
Show SMILES NCCc1c2SCOc2c2[nH]ccc3c4ccccc4nc1c23
Show InChI InChI=1S/C18H15N3OS/c19-7-5-12-15-14-11(10-3-1-2-4-13(10)21-15)6-8-20-16(14)17-18(12)23-9-22-17/h1-4,6,8,20H,5,7,9,19H2
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.86E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay


Bioorg Med Chem 16: 10022-8 (2008)


Article DOI: 10.1016/j.bmc.2008.10.024
BindingDB Entry DOI: 10.7270/Q2RB74F1
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50273917
PNG
(CHEMBL462089 | Isolissoclinotoxin B)
Show SMILES COc1cc(CCN(C)C)c2SSSSSc2c1O
Show InChI InChI=1S/C11H15NO2S5/c1-12(2)5-4-7-6-8(14-3)9(13)11-10(7)15-17-19-18-16-11/h6,13H,4-5H2,1-3H3
PDB
MMDB

NCI pathway
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UniChem

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Article
PubMed
n/an/a 5.86E+4n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay


Bioorg Med Chem 16: 10022-8 (2008)


Article DOI: 10.1016/j.bmc.2008.10.024
BindingDB Entry DOI: 10.7270/Q2RB74F1
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50273919
PNG
(CHEMBL513108 | Diplamine B)
Show SMILES CSc1c(O)c2nccc3c4ccccc4[nH]c(c1CC=N)c23
Show InChI InChI=1S/C18H15N3OS/c1-23-18-12(6-8-19)15-14-11(7-9-20-16(14)17(18)22)10-4-2-3-5-13(10)21-15/h2-5,7-9,19,21-22H,6H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 1.01E+5n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay


Bioorg Med Chem 16: 10022-8 (2008)


Article DOI: 10.1016/j.bmc.2008.10.024
BindingDB Entry DOI: 10.7270/Q2RB74F1
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50273918
PNG
(CHEMBL462090 | N,N-dimethyl-5-methylvaracin)
Show SMILES COc1c(C)c(CCN(C)C)c2SSSSSc2c1OC
Show InChI InChI=1S/C13H19NO2S5/c1-8-9(6-7-14(2)3)12-13(18-20-21-19-17-12)11(16-5)10(8)15-4/h6-7H2,1-5H3
PDB
MMDB

NCI pathway
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Article
PubMed
n/an/a 1.21E+5n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay


Bioorg Med Chem 16: 10022-8 (2008)


Article DOI: 10.1016/j.bmc.2008.10.024
BindingDB Entry DOI: 10.7270/Q2RB74F1
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50240848
PNG
(2-(3,4-Dimethoxy-5,6,7,8,9-pentathia-benzocyclohep...)
Show SMILES COc1cc(CCN)c2SSSSSc2c1OC
Show InChI InChI=1S/C10H13NO2S5/c1-12-7-5-6(3-4-11)9-10(8(7)13-2)15-17-18-16-14-9/h5H,3-4,11H2,1-2H3
PDB
MMDB

NCI pathway
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Patents


Similars

Article
PubMed
n/an/a>2.95E+5n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay


Bioorg Med Chem 16: 10022-8 (2008)


Article DOI: 10.1016/j.bmc.2008.10.024
BindingDB Entry DOI: 10.7270/Q2RB74F1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%