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BDBM51885 1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide::MLS000737369::N,N'-bis[4-(2-imidazolin-2-yl)phenyl]-2-nitro-terephthalamide::N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitro-benzene-1,4-dicarboxamide::N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide::SMR000528282::cid_165308

SMILES: [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1

InChI Key: InChIKey=VDGYUPAAIRNMPL-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 51885   
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
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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n/an/a 2.17E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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n/an/a 4.88E+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 (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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n/an/a 3.11E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair