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BDBM56986 8-[(2,6-dimethyl-4-morpholinyl)methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione::8-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione::8-[(2,6-dimethylmorpholino)methyl]-3-methyl-7-(3-phenylpropyl)xanthine::MLS000093038::SMR000016763::cid_3241948

SMILES: CC1CN(Cc2nc3n(C)c(=O)[nH]c(=O)c3n2CCCc2ccccc2)CC(C)O1

InChI Key: InChIKey=JHXRMMOWIIXLDL-UHFFFAOYNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 56986   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM56986
PNG
(8-[(2,6-dimethyl-4-morpholinyl)methyl]-3-methyl-7-...)
Show SMILES CC1CN(Cc2nc3n(C)c(=O)[nH]c(=O)c3n2CCCc2ccccc2)CC(C)O1
Show InChI InChI=1/C22H29N5O3/c1-15-12-26(13-16(2)30-15)14-18-23-20-19(21(28)24-22(29)25(20)3)27(18)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,15-16H,7,10-14H2,1-3H3,(H,24,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair