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BDBM50011912 4-amino-2-[4,6-diamino-3-(3-amino-6-aminomethyl-4,5-dihydroxytetrahydro-2H-2-pyranyloxy)-2-hydroxycyclohexyloxy]-6-methyltetrahydro-2H-3,5-pyrandiol::5-amino-2-aminomethyl-6-[4,6-diamino-3-(4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-2-pyranyloxy)-2-hydroxycyclohexyloxy]tetrahydro-2H-3,4-pyrandiol::CHEMBL35509

SMILES: CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O

InChI Key: InChIKey=BWKXOXISDFIFJT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011912   
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)
BDBM50011912
PNG
(4-amino-2-[4,6-diamino-3-(3-amino-6-aminomethyl-4,...)
Show SMILES CC1OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)C(O)C(N)C1O
Show InChI InChI=1S/C18H37N5O9/c1-4-10(24)8(22)13(27)18(29-4)32-16-6(21)2-5(20)15(14(16)28)31-17-9(23)12(26)11(25)7(3-19)30-17/h4-18,24-28H,2-3,19-23H2,1H3
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PC sid
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Similars

Article
PubMed
n/an/a 9.30E+4n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine


J Med Chem 34: 1476-82 (1991)


Article DOI: 10.1021/jm00108a036
BindingDB Entry DOI: 10.7270/Q2KK9CD3
More data for this
Ligand-Target Pair