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BDBM89309 MLS000727981::N'-(4-butylphenyl)-N-[2-[4-(4-nitrobenzyl)piperazino]ethyl]oxamide::N'-(4-butylphenyl)-N-[2-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]ethyl]oxamide::N'-(4-butylphenyl)-N-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethyl]ethanediamide::N'-(4-butylphenyl)-N-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethyl]oxamide::N-(4-butylphenyl)-N'-{2-[4-(4-nitrobenzyl)piperazin-1-yl]ethyl}ethanediamide::SMR000306675::cid_4692200

SMILES: CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1

InChI Key: InChIKey=HABZPJHNDIWXJQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 89309   
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
Protein Wnt-3a


(Mus musculus)
BDBM89309
PNG
(MLS000727981 | N'-(4-butylphenyl)-N-[2-[4-(4-nitro...)
Show SMILES CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C25H33N5O4/c1-2-3-4-20-5-9-22(10-6-20)27-25(32)24(31)26-13-14-28-15-17-29(18-16-28)19-21-7-11-23(12-8-21)30(33)34/h5-12H,2-4,13-19H2,1H3,(H,26,31)(H,27,32)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89309
PNG
(MLS000727981 | N'-(4-butylphenyl)-N-[2-[4-(4-nitro...)
Show SMILES CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C25H33N5O4/c1-2-3-4-20-5-9-22(10-6-20)27-25(32)24(31)26-13-14-28-15-17-29(18-16-28)19-21-7-11-23(12-8-21)30(33)34/h5-12H,2-4,13-19H2,1H3,(H,26,31)(H,27,32)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.33E+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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair