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SMILES: CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccc(C)cc1

InChI Key: InChIKey=FDIPUVCGQJIRAT-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 3 hits for monomerid = 68007   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68007
PNG
(7-Ethyl-5-(4-nitro-phenyl)-2-p-tolyl-3H-benzo[e][1...)
Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccc(C)cc1 |c:6,8|
Show InChI InChI=1S/C23H20N4O2/c1-3-16-6-13-21-20(14-16)22(17-9-11-19(12-10-17)27(28)29)25-26-23(24-21)18-7-4-15(2)5-8-18/h4-14,25H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68007
PNG
(7-Ethyl-5-(4-nitro-phenyl)-2-p-tolyl-3H-benzo[e][1...)
Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccc(C)cc1 |c:6,8|
Show InChI InChI=1S/C23H20N4O2/c1-3-16-6-13-21-20(14-16)22(17-9-11-19(12-10-17)27(28)29)25-26-23(24-21)18-7-4-15(2)5-8-18/h4-14,25H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM68007
PNG
(7-Ethyl-5-(4-nitro-phenyl)-2-p-tolyl-3H-benzo[e][1...)
Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccc(C)cc1 |c:6,8|
Show InChI InChI=1S/C23H20N4O2/c1-3-16-6-13-21-20(14-16)22(17-9-11-19(12-10-17)27(28)29)25-26-23(24-21)18-7-4-15(2)5-8-18/h4-14,25H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.21E+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