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SMILES: [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl

InChI Key: InChIKey=VAKBSJSQKQOLBN-UHFFFAOYSA-N

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 5 hits for monomerid = 41845   
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41845
PNG
(3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichloropheny...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-12(11(18)7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)
PDB
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PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41845
PNG
(3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichloropheny...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-12(11(18)7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)
PDB
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PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM41845
PNG
(3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichloropheny...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-12(11(18)7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)
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n/an/a 9.33E+3n/an/an/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 (2010)


BindingDB Entry DOI: 10.7270/Q26H4FW6
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM41845
PNG
(3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichloropheny...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-12(11(18)7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)
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n/an/a 5.40E+4n/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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41845
PNG
(3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichloropheny...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H11Cl5N4O3S/c17-9-4-5-12(11(18)7-9)22-15(29)24-14(16(19,20)21)23-13(26)8-2-1-3-10(6-8)25(27)28/h1-7,14H,(H,23,26)(H2,22,24,29)
PDB
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NCI pathway
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KEGG

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.82E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair