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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 = 'BDBM43386'   
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))
BDBM43386
PNG
((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...)
Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 270n/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))
BDBM43386
PNG
((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...)
Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+
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 1.50E+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/Q2G73C3D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM43386
PNG
((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...)
Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+
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 1.16E+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