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BDBM50972 8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione::8-amino-3-butyl-1H-benzo[g]pteridine-2,4-quinone::8-amino-3-butylbenzo[g]pteridine-2,4(1H,3H)-dione::8-azanyl-3-butyl-1H-benzo[g]pteridine-2,4-dione::MLS000573067::SMR000184997::cid_5599490

SMILES: CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O

InChI Key: InChIKey=SCMRSTXDCBCLRG-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 = 50972   
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)
BDBM50972
PNG
(8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C14H15N5O2/c1-2-3-6-19-13(20)11-12(18-14(19)21)17-10-7-8(15)4-5-9(10)16-11/h4-5,7H,2-3,6,15H2,1H3,(H,17,18,21)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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PCBioAssay
n/an/a 820n/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
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50972
PNG
(8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C14H15N5O2/c1-2-3-6-19-13(20)11-12(18-14(19)21)17-10-7-8(15)4-5-9(10)16-11/h4-5,7H,2-3,6,15H2,1H3,(H,17,18,21)
PDB

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antibodypedia
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n/an/a 1.91E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM50972
PNG
(8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C14H15N5O2/c1-2-3-6-19-13(20)11-12(18-14(19)21)17-10-7-8(15)4-5-9(10)16-11/h4-5,7H,2-3,6,15H2,1H3,(H,17,18,21)
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n/an/an/an/a 2.43E+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...)
BDBM50972
PNG
(8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C14H15N5O2/c1-2-3-6-19-13(20)11-12(18-14(19)21)17-10-7-8(15)4-5-9(10)16-11/h4-5,7H,2-3,6,15H2,1H3,(H,17,18,21)
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KEGG

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n/an/a 7.87E+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)
BDBM50972
PNG
(8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C14H15N5O2/c1-2-3-6-19-13(20)11-12(18-14(19)21)17-10-7-8(15)4-5-9(10)16-11/h4-5,7H,2-3,6,15H2,1H3,(H,17,18,21)
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UniProtKB/TrEMBL

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n/an/a 2.07E+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)
BDBM50972
PNG
(8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C14H15N5O2/c1-2-3-6-19-13(20)11-12(18-14(19)21)17-10-7-8(15)4-5-9(10)16-11/h4-5,7H,2-3,6,15H2,1H3,(H,17,18,21)
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KEGG

UniProtKB/TrEMBL

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n/an/a 1.68E+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