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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 = 'BDBM43366'   
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))
BDBM43366
PNG
(5'-isopropyl-5-phenyl-spiro[3H-1,3,4-thiadiazole-2...)
Show SMILES CC(C)c1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:12|
Show InChI InChI=1S/C18H17N3OS/c1-11(2)13-8-9-15-14(10-13)18(17(22)19-15)21-20-16(23-18)12-6-4-3-5-7-12/h3-11,21H,1-2H3,(H,19,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.42E+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))
BDBM43366
PNG
(5'-isopropyl-5-phenyl-spiro[3H-1,3,4-thiadiazole-2...)
Show SMILES CC(C)c1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:12|
Show InChI InChI=1S/C18H17N3OS/c1-11(2)13-8-9-15-14(10-13)18(17(22)19-15)21-20-16(23-18)12-6-4-3-5-7-12/h3-11,21H,1-2H3,(H,19,22)
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 430n/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))
BDBM43366
PNG
(5'-isopropyl-5-phenyl-spiro[3H-1,3,4-thiadiazole-2...)
Show SMILES CC(C)c1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:12|
Show InChI InChI=1S/C18H17N3OS/c1-11(2)13-8-9-15-14(10-13)18(17(22)19-15)21-20-16(23-18)12-6-4-3-5-7-12/h3-11,21H,1-2H3,(H,19,22)
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 1.42E+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