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BDBM44651 1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]-7-pentylpurine-2,6-dione::1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione::1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-pentyl-purine-2,6-dione::1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-pentylpurine-2,6-dione::7-amyl-1,3-dimethyl-8-[(2-methylpiperidino)methyl]xanthine::MLS000092218::SMR000027120::cid_3240684

SMILES: CCCCCn1c(CN2CCCCC2C)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=SGXJWRAKXCAFPR-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 44651   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44651
PNG
(1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]-7-...)
Show SMILES CCCCCn1c(CN2CCCCC2C)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H31N5O2/c1-5-6-8-12-24-15(13-23-11-9-7-10-14(23)2)20-17-16(24)18(25)22(4)19(26)21(17)3/h14H,5-13H2,1-4H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 883n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair