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BDBM43395 (2E)-2-[4-(diethylamino)benzylidene]-1,3-diketo-indane-5-carboxylic acid::(2E)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-bis(oxidanylidene)indene-5-carboxylic acid::(2E)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-dioxo-5-indenecarboxylic acid::(2E)-2-[[4-(diethylamino)phenyl]methylidene]-1,3-dioxoindene-5-carboxylic acid::2-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-1,3-dioxo-indan-5-carboxylic acid::MLS000594865::SMR000218076::cid_741762

InChI string: 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+

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

InChI Key: InChIKey=UIKDDODRJJDDNG-WOJGMQOQSA-N

Data: 2 IC50  5 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 7 hits for monomerid = 43395   
Target
(Institution)
LigandTarget
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
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM43395
PNG
((2E)-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

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PCBioAssay
n/an/an/an/a 100n/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)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM43395
PNG
((2E)-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

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n/an/an/an/a 2.16E+5n/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)

More data for this
Ligand-Target Pair
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM43395
PNG
((2E)-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
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KEGG

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n/an/an/an/a 50n/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)

More data for this
Ligand-Target Pair
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM43395
PNG
((2E)-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

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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)

More data for this
Ligand-Target Pair
cardiac alpha tropomyosin


(Sus scrofa)
BDBM43395
PNG
((2E)-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

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n/an/an/an/a 516n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM43395
PNG
((2E)-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
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KEGG

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n/an/a 1.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens)
BDBM43395
PNG
((2E)-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
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n/an/an/an/a 5.66E+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)

More data for this
Ligand-Target Pair