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1 similar compounds to monomer 39762

Compile data set for download or QSAR
Wt: 372.4
BDBM45474
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 45474   
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
Factor XIIa


(Homo sapiens (Human))
BDBM45474
PNG
(1-(4-isopropoxybenzyl)-3-[(4-nitrobenzylidene)amin...)
Show SMILES CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H20N4O3S/c1-13(2)25-17-9-5-14(6-10-17)11-19-18(26)21-20-12-15-3-7-16(8-4-15)22(23)24/h3-10,12-13H,11H2,1-2H3,(H2,19,21,26)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM45474
PNG
(1-(4-isopropoxybenzyl)-3-[(4-nitrobenzylidene)amin...)
Show SMILES CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H20N4O3S/c1-13(2)25-17-9-5-14(6-10-17)11-19-18(26)21-20-12-15-3-7-16(8-4-15)22(23)24/h3-10,12-13H,11H2,1-2H3,(H2,19,21,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM45474
PNG
(1-(4-isopropoxybenzyl)-3-[(4-nitrobenzylidene)amin...)
Show SMILES CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H20N4O3S/c1-13(2)25-17-9-5-14(6-10-17)11-19-18(26)21-20-12-15-3-7-16(8-4-15)22(23)24/h3-10,12-13H,11H2,1-2H3,(H2,19,21,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.09E+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
XBP1


(Homo sapiens (Human))
BDBM45474
PNG
(1-(4-isopropoxybenzyl)-3-[(4-nitrobenzylidene)amin...)
Show SMILES CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H20N4O3S/c1-13(2)25-17-9-5-14(6-10-17)11-19-18(26)21-20-12-15-3-7-16(8-4-15)22(23)24/h3-10,12-13H,11H2,1-2H3,(H2,19,21,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

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/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM45474
PNG
(1-(4-isopropoxybenzyl)-3-[(4-nitrobenzylidene)amin...)
Show SMILES CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H20N4O3S/c1-13(2)25-17-9-5-14(6-10-17)11-19-18(26)21-20-12-15-3-7-16(8-4-15)22(23)24/h3-10,12-13H,11H2,1-2H3,(H2,19,21,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.09E+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