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BDBM53152 1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione::1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinazoline-2,5-quinone::1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione::MLS001196487::SMR000556157::cid_2917512

SMILES: CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=RMXWBTFGOFPWHN-UHFFFAOYSA-N

Data: 4 IC50  2 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 = 53152   
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
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53152
PNG
(1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydro-3H-q...)
Show SMILES CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|
Show InChI InChI=1S/C15H15N3O4/c1-17-11-7-4-8-12(19)13(11)14(16-15(17)20)9-5-2-3-6-10(9)18(21)22/h2-3,5-6,14H,4,7-8H2,1H3,(H,16,20)
PDB

KEGG

UniProtKB/TrEMBL

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UniChem

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PCBioAssay
n/an/an/an/a 8.80E+3n/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)
BDBM53152
PNG
(1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydro-3H-q...)
Show SMILES CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|
Show InChI InChI=1S/C15H15N3O4/c1-17-11-7-4-8-12(19)13(11)14(16-15(17)20)9-5-2-3-6-10(9)18(21)22/h2-3,5-6,14H,4,7-8H2,1H3,(H,16,20)
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 7.58E+3n/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
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM53152
PNG
(1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydro-3H-q...)
Show SMILES CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|
Show InChI InChI=1S/C15H15N3O4/c1-17-11-7-4-8-12(19)13(11)14(16-15(17)20)9-5-2-3-6-10(9)18(21)22/h2-3,5-6,14H,4,7-8H2,1H3,(H,16,20)
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MMDB

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n/an/a 8.33E+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: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM53152
PNG
(1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydro-3H-q...)
Show SMILES CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|
Show InChI InChI=1S/C15H15N3O4/c1-17-11-7-4-8-12(19)13(11)14(16-15(17)20)9-5-2-3-6-10(9)18(21)22/h2-3,5-6,14H,4,7-8H2,1H3,(H,16,20)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2QZ28D7
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM53152
PNG
(1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydro-3H-q...)
Show SMILES CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|
Show InChI InChI=1S/C15H15N3O4/c1-17-11-7-4-8-12(19)13(11)14(16-15(17)20)9-5-2-3-6-10(9)18(21)22/h2-3,5-6,14H,4,7-8H2,1H3,(H,16,20)
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n/an/a 1.13E+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: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM53152
PNG
(1-methyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydro-3H-q...)
Show SMILES CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|
Show InChI InChI=1S/C15H15N3O4/c1-17-11-7-4-8-12(19)13(11)14(16-15(17)20)9-5-2-3-6-10(9)18(21)22/h2-3,5-6,14H,4,7-8H2,1H3,(H,16,20)
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n/an/a 5.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2R78CNZ
More data for this
Ligand-Target Pair