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BDBM50011926 4-amino-2-[2,4-diamino-5-(3-amino-6-aminomethyl-4,5-dihydroxytetrahydro-2H-2-pyranyloxy)-6-hydroxy-2-hydroxymethylcyclohexyloxy]-6-hydroxymethyltetrahydro-2H-3,5-pyrandiol::CHEMBL38377

SMILES: NCC1OC(OC2C(N)CC(N)(CO)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O

InChI Key: InChIKey=PJPVGMCBOQXIDS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011926   
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
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50011926
PNG
(4-amino-2-[2,4-diamino-5-(3-amino-6-aminomethyl-4,...)
Show SMILES NCC1OC(OC2C(N)CC(N)(CO)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O
Show InChI InChI=1S/C19H39N5O11/c20-2-6-11(28)12(29)9(23)17(32-6)34-15-5(21)1-19(24,4-26)16(14(15)31)35-18-13(30)8(22)10(27)7(3-25)33-18/h5-18,25-31H,1-4,20-24H2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7.90E+4n/an/an/an/an/an/a



Katholieke Universiteit Leuven

Curated by ChEMBL


Assay Description
in vitro inhibitory activity against Lysosomal phospholipase A1 consisting of negatively charged liposomes and lysosomal extracts. p<0.05


J Med Chem 34: 1483-92 (1991)


Article DOI: 10.1021/jm00108a037
BindingDB Entry DOI: 10.7270/Q2FX7B16
More data for this
Ligand-Target Pair