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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM43428'   
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))
BDBM43428
PNG
(3-[(4-isopropylphenoxy)methyl]-N'-(3-pyridinyl...)
Show SMILES CC(C)c1ccc(OCc2cccc(c2)C(=O)NN=Cc2cccnc2)cc1 |w:18.18|
Show InChI InChI=1S/C23H23N3O2/c1-17(2)20-8-10-22(11-9-20)28-16-18-5-3-7-21(13-18)23(27)26-25-15-19-6-4-12-24-14-19/h3-15,17H,16H2,1-2H3,(H,26,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 20n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43428
PNG
(3-[(4-isopropylphenoxy)methyl]-N'-(3-pyridinyl...)
Show SMILES CC(C)c1ccc(OCc2cccc(c2)C(=O)NN=Cc2cccnc2)cc1 |w:18.18|
Show InChI InChI=1S/C23H23N3O2/c1-17(2)20-8-10-22(11-9-20)28-16-18-5-3-7-21(13-18)23(27)26-25-15-19-6-4-12-24-14-19/h3-15,17H,16H2,1-2H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 40n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2G73C3D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43428
PNG
(3-[(4-isopropylphenoxy)methyl]-N'-(3-pyridinyl...)
Show SMILES CC(C)c1ccc(OCc2cccc(c2)C(=O)NN=Cc2cccnc2)cc1 |w:18.18|
Show InChI InChI=1S/C23H23N3O2/c1-17(2)20-8-10-22(11-9-20)28-16-18-5-3-7-21(13-18)23(27)26-25-15-19-6-4-12-24-14-19/h3-15,17H,16H2,1-2H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.00E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KW5DG0
More data for this
Ligand-Target Pair