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BDBM48241 (E)-[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimethyl-pyrrol-3-yl]methylene-(1,2,4-triazol-4-yl)amine::1-[1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,5-dimethyl-3-pyrrolyl]-N-(1,2,4-triazol-4-yl)methanimine::1-[1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine::1-[1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine::MLS000534387::N-[(1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-4H-1,2,4-triazol-4-amine::SMR000141819::[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimethyl-pyrrol-3-yl]methylene-(1,2,4-triazol-4-yl)amine::cid_1317430

SMILES: Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=YYOIKJDQMGWVTK-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 = 48241   
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
matrix metalloproteinase 1


(Homo sapiens (Human))
BDBM48241
PNG
((E)-[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimet...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
Show InChI InChI=1S/C22H19Cl2N5O/c1-15-9-18(11-27-28-13-25-26-14-28)16(2)29(15)20-5-7-21(8-6-20)30-12-17-3-4-19(23)10-22(17)24/h3-11,13-14H,12H2,1-2H3
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n/an/an/an/a 9.47E+3n/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM48241
PNG
((E)-[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimet...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
Show InChI InChI=1S/C22H19Cl2N5O/c1-15-9-18(11-27-28-13-25-26-14-28)16(2)29(15)20-5-7-21(8-6-20)30-12-17-3-4-19(23)10-22(17)24/h3-11,13-14H,12H2,1-2H3
PDB
MMDB

KEGG

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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM48241
PNG
((E)-[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimet...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
Show InChI InChI=1S/C22H19Cl2N5O/c1-15-9-18(11-27-28-13-25-26-14-28)16(2)29(15)20-5-7-21(8-6-20)30-12-17-3-4-19(23)10-22(17)24/h3-11,13-14H,12H2,1-2H3
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n/an/an/an/a 1.35E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
protein artemis isoform a


(Homo sapiens (Human))
BDBM48241
PNG
((E)-[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimet...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
Show InChI InChI=1S/C22H19Cl2N5O/c1-15-9-18(11-27-28-13-25-26-14-28)16(2)29(15)20-5-7-21(8-6-20)30-12-17-3-4-19(23)10-22(17)24/h3-11,13-14H,12H2,1-2H3
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n/an/a 5.84E+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 CA...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM48241
PNG
((E)-[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimet...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
Show InChI InChI=1S/C22H19Cl2N5O/c1-15-9-18(11-27-28-13-25-26-14-28)16(2)29(15)20-5-7-21(8-6-20)30-12-17-3-4-19(23)10-22(17)24/h3-11,13-14H,12H2,1-2H3
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n/an/a 160n/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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM48241
PNG
((E)-[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimet...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
Show InChI InChI=1S/C22H19Cl2N5O/c1-15-9-18(11-27-28-13-25-26-14-28)16(2)29(15)20-5-7-21(8-6-20)30-12-17-3-4-19(23)10-22(17)24/h3-11,13-14H,12H2,1-2H3
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n/an/a>1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM48241
PNG
((E)-[1-[4-(2,4-dichlorobenzyl)oxyphenyl]-2,5-dimet...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
Show InChI InChI=1S/C22H19Cl2N5O/c1-15-9-18(11-27-28-13-25-26-14-28)16(2)29(15)20-5-7-21(8-6-20)30-12-17-3-4-19(23)10-22(17)24/h3-11,13-14H,12H2,1-2H3
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n/an/a>1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair