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BDBM89234 7-butyl-1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]purine-2,6-dione::8-[[benzyl(methyl)amino]methyl]-7-butyl-1,3-dimethyl-xanthine::8-[[benzyl(methyl)amino]methyl]-7-butyl-1,3-dimethylpurine-2,6-dione::MLS000039612::SMR000035250::cid_667213

SMILES: CCCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=KGSWBMDCGPCPGG-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 = 89234   
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)
BDBM89234
PNG
(7-butyl-1,3-dimethyl-8-[[methyl-(phenylmethyl)amin...)
Show SMILES CCCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H27N5O2/c1-5-6-12-25-16(14-22(2)13-15-10-8-7-9-11-15)21-18-17(25)19(26)24(4)20(27)23(18)3/h7-11H,5-6,12-14H2,1-4H3
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.51E+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)
BDBM89234
PNG
(7-butyl-1,3-dimethyl-8-[[methyl-(phenylmethyl)amin...)
Show SMILES CCCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H27N5O2/c1-5-6-12-25-16(14-22(2)13-15-10-8-7-9-11-15)21-18-17(25)19(26)24(4)20(27)23(18)3/h7-11H,5-6,12-14H2,1-4H3
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 6.85E+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)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair