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BDBM52480 2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone;hydrobromide::2-[3-(4-Chloro-benzyl)-2-imino-2,3-dihydro-benzoimidazol-1-yl]-1-(4-nitro-phenyl)-ethanone::2-[3-(4-chlorobenzyl)-2-imino-benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone;hydrobromide::2-[3-[(4-chlorophenyl)methyl]-2-imino-1-benzimidazolyl]-1-(4-nitrophenyl)ethanone;hydrobromide::2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-nitrophenyl)ethanone;hydrobromide::MLS000588756::SMR000212362::cid_15944760

SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N

InChI Key: InChIKey=CRQPWVDVPSXOAH-UHFFFAOYSA-N

Data: 3 IC50  4 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 = 52480   
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)
BDBM52480
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C22H17ClN4O3/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30/h1-12,24H,13-14H2
PDB

KEGG

UniProtKB/TrEMBL

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UniChem

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n/an/an/an/a 1.25E+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)
BDBM52480
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C22H17ClN4O3/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30/h1-12,24H,13-14H2
KEGG

UniProtKB/SwissProt

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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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM52480
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C22H17ClN4O3/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30/h1-12,24H,13-14H2
KEGG

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n/an/a 5.98E+3n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM52480
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C22H17ClN4O3/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30/h1-12,24H,13-14H2
PDB
MMDB

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B.MOAD
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n/an/an/an/a 1.93E+3n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM52480
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C22H17ClN4O3/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30/h1-12,24H,13-14H2
KEGG

UniProtKB/SwissProt

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n/an/a 5.98E+3n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM52480
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C22H17ClN4O3/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30/h1-12,24H,13-14H2
PDB
MMDB

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n/an/an/an/a>9.90E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM52480
PNG
(2-[2-azanylidene-3-[(4-chlorophenyl)methyl]benzimi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C22H17ClN4O3/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30/h1-12,24H,13-14H2
KEGG

UniProtKB/SwissProt
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antibodypedia
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n/an/a 3.63E+3n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair