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BDBM43399 (2Z)-2-[4-(diethylamino)benzylidene]-1,3-diketo-indane-5-carboxylic acid::(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-bis(oxidanylidene)indene-5-carboxylic acid::(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-dioxo-5-indenecarboxylic acid::(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-dioxoindene-5-carboxylic acid::2-(4-Diethylamino-benzylidene)-1,3-dioxo-indan-5-carboxylic acid::MLS000553788::SMR000172186::cid_741765

SMILES: CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1

InChI Key: InChIKey=UIKDDODRJJDDNG-WQRHYEAKSA-N

Data: 2 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 43399   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM43399
PNG
((2Z)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 70n/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))
BDBM43399
PNG
((2Z)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 60n/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
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM43399
PNG
((2Z)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11-
KEGG

UniProtKB/SwissProt

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n/an/a>6.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM43399
PNG
((2Z)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 1.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM43399
PNG
((2Z)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.83E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair