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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 = 'BDBM43488'   
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))
BDBM43488
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fl...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2F)n1
Show InChI InChI=1S/C15H13FN2OS/c1-10-9-11(2)18-15(17-10)20-8-7-14(19)12-5-3-4-6-13(12)16/h3-9H,1-2H3/b8-7+
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 1.00E+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))
BDBM43488
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fl...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2F)n1
Show InChI InChI=1S/C15H13FN2OS/c1-10-9-11(2)18-15(17-10)20-8-7-14(19)12-5-3-4-6-13(12)16/h3-9H,1-2H3/b8-7+
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 1.09E+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))
BDBM43488
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fl...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2F)n1
Show InChI InChI=1S/C15H13FN2OS/c1-10-9-11(2)18-15(17-10)20-8-7-14(19)12-5-3-4-6-13(12)16/h3-9H,1-2H3/b8-7+
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 9.26E+6n/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