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BDBM41525 1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole::1-(4-fluorobenzyl)-3-[(E)-2-nitrovinyl]indole::1-[(4-fluorophenyl)methyl]-3-[(E)-2-nitroethenyl]indole::MLS000577100::SMR000198179::cid_889149

SMILES: [O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12

InChI Key: InChIKey=MBJQESWKYNPHIO-MDZDMXLPSA-N

Data: 4 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 4 hits for monomerid = 41525   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM41525
PNG
(1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...)
Show SMILES [O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C17H13FN2O2/c18-15-7-5-13(6-8-15)11-19-12-14(9-10-20(21)22)16-3-1-2-4-17(16)19/h1-10,12H,11H2/b10-9+
PDB
MMDB

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PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM41525
PNG
(1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...)
Show SMILES [O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C17H13FN2O2/c18-15-7-5-13(6-8-15)11-19-12-14(9-10-20(21)22)16-3-1-2-4-17(16)19/h1-10,12H,11H2/b10-9+
KEGG

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n/an/a 3.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM41525
PNG
(1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...)
Show SMILES [O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C17H13FN2O2/c18-15-7-5-13(6-8-15)11-19-12-14(9-10-20(21)22)16-3-1-2-4-17(16)19/h1-10,12H,11H2/b10-9+
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PCBioAssay
n/an/a 7.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM41525
PNG
(1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...)
Show SMILES [O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C17H13FN2O2/c18-15-7-5-13(6-8-15)11-19-12-14(9-10-20(21)22)16-3-1-2-4-17(16)19/h1-10,12H,11H2/b10-9+
PDB
MMDB

NCI pathway
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KEGG

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UniProtKB/TrEMBL

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UniChem

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PCBioAssay
n/an/a 4.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair