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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 = 'BDBM43457'   
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))
BDBM43457
PNG
((E)-1-(1-benzimidazolyl)-3-(3-nitrophenyl)-2-prope...)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)n2cnc3ccccc23)c1
Show InChI InChI=1S/C16H11N3O3/c20-16(18-11-17-14-6-1-2-7-15(14)18)9-8-12-4-3-5-13(10-12)19(21)22/h1-11H/b9-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.68E+3n/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))
BDBM43457
PNG
((E)-1-(1-benzimidazolyl)-3-(3-nitrophenyl)-2-prope...)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)n2cnc3ccccc23)c1
Show InChI InChI=1S/C16H11N3O3/c20-16(18-11-17-14-6-1-2-7-15(14)18)9-8-12-4-3-5-13(10-12)19(21)22/h1-11H/b9-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.26E+3n/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))
BDBM43457
PNG
((E)-1-(1-benzimidazolyl)-3-(3-nitrophenyl)-2-prope...)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)n2cnc3ccccc23)c1
Show InChI InChI=1S/C16H11N3O3/c20-16(18-11-17-14-6-1-2-7-15(14)18)9-8-12-4-3-5-13(10-12)19(21)22/h1-11H/b9-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.72E+3n/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