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BDBM78052 9-[(2,6-dichlorophenyl)methyl]-N,N-diethyl-6-purinamine::9-[(2,6-dichlorophenyl)methyl]-N,N-diethylpurin-6-amine::9-[[2,6-bis(chloranyl)phenyl]methyl]-N,N-diethyl-purin-6-amine::MLS000121134::SMR000118547::[9-(2,6-Dichloro-benzyl)-9H-purin-6-yl]-diethyl-amine::[9-(2,6-dichlorobenzyl)purin-6-yl]-diethyl-amine::cid_594510

SMILES: CCN(CC)c1ncnc2n(Cc3c(Cl)cccc3Cl)cnc12

InChI Key: InChIKey=ITJIOYIWZIUCSN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 78052   
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
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM78052
PNG
(9-[(2,6-dichlorophenyl)methyl]-N,N-diethyl-6-purin...)
Show SMILES CCN(CC)c1ncnc2n(Cc3c(Cl)cccc3Cl)cnc12
Show InChI InChI=1S/C16H17Cl2N5/c1-3-22(4-2)15-14-16(20-9-19-15)23(10-21-14)8-11-12(17)6-5-7-13(11)18/h5-7,9-10H,3-4,8H2,1-2H3
PDB
MMDB

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Similars

PCBioAssay
n/an/a 4.59E+4n/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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair