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BDBM51030 8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione::8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-quinone::8-azanyl-3-hexyl-1H-benzo[g]pteridine-2,4-dione::MLS000590527::SMR000217535::cid_5549699

SMILES: CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O

InChI Key: InChIKey=NVCLSXSHBDFPLR-UHFFFAOYSA-N

Data: 4 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 7 hits for monomerid = 51030   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 840n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
PDB

KEGG

UniProtKB/TrEMBL

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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
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KEGG

UniProtKB/TrEMBL

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n/an/a 9.70E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2NG4P3G
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
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n/an/a>5.96E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2HT2MRM
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
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KEGG

UniProtKB/TrEMBL

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n/an/a 5.25E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair