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BDBM32041 3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propyl-quinazolin-4-one::3-[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-2-propyl-4-quinazolinone::3-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propylquinazolin-4-one::3-[[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propyl-quinazolin-4-one::MLS000039021::SMR000037671::cid_5389225

SMILES: CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1

InChI Key: InChIKey=ZAGYRXCHJNKGDS-UHFFFAOYSA-N

Data: 5 IC50  1 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 6 hits for monomerid = 32041   
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
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
PDB
MMDB

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PC sid
UniChem
Article
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n/an/a 1.76E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
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n/an/a 767n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
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n/an/a 2.42E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
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KEGG

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UniChem
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n/an/an/an/a 4.84E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
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n/an/a 3.62E+3n/an/an/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb3005353
BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair