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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.4
BDBM50055761

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055761
PNG
(2-(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-prop...)
Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(C(C)C(=O)NN)c2c1
Show InChI InChI=1S/C20H23N3O2/c1-13(20(24)22-21)19-14(2)23(12-15-7-5-4-6-8-15)18-10-9-16(25-3)11-17(18)19/h4-11,13H,12,21H2,1-3H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.26E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Human Nonpancreatic Secretory Phospholipase A2 through Chromogenic assay


J Med Chem 39: 5119-36 (1997)


Article DOI: 10.1021/jm960485v
BindingDB Entry DOI: 10.7270/Q2542MQ5
More data for this
Ligand-Target Pair