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BDBM68196 3-[4-[(4-fluorobenzyl)amino]-3-nitro-phenyl]-3-[[2-(1-naphthyl)acetyl]amino]propionamide::3-[4-[(4-fluorophenyl)methylamino]-3-nitro-phenyl]-3-(2-naphthalen-1-ylethanoylamino)propanamide::3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]-3-[(2-naphthalen-1-ylacetyl)amino]propanamide::3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]-3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]propanamide::MLS000420599::SMR000463448::cid_16746216

SMILES: NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=KISZHHABTNLBNY-UHFFFAOYSA-N

Data: 3 IC50

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 = 68196   
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)
BDBM68196
PNG
(3-[4-[(4-fluorobenzyl)amino]-3-nitro-phenyl]-3-[[2...)
Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H25FN4O4/c29-22-11-8-18(9-12-22)17-31-24-13-10-21(14-26(24)33(36)37)25(16-27(30)34)32-28(35)15-20-6-3-5-19-4-1-2-7-23(19)20/h1-14,25,31H,15-17H2,(H2,30,34)(H,32,35)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.49E+3n/an/an/an/an/an/a



Emory University

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)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM68196
PNG
(3-[4-[(4-fluorobenzyl)amino]-3-nitro-phenyl]-3-[[2...)
Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H25FN4O4/c29-22-11-8-18(9-12-22)17-31-24-13-10-21(14-26(24)33(36)37)25(16-27(30)34)32-28(35)15-20-6-3-5-19-4-1-2-7-23(19)20/h1-14,25,31H,15-17H2,(H2,30,34)(H,32,35)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

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)
BDBM68196
PNG
(3-[4-[(4-fluorobenzyl)amino]-3-nitro-phenyl]-3-[[2...)
Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H25FN4O4/c29-22-11-8-18(9-12-22)17-31-24-13-10-21(14-26(24)33(36)37)25(16-27(30)34)32-28(35)15-20-6-3-5-19-4-1-2-7-23(19)20/h1-14,25,31H,15-17H2,(H2,30,34)(H,32,35)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.49E+3n/an/an/an/an/an/a



Emory University

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