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PDB code 4UY1

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
Group X secretory phospholipase A2

  (123/123 = 100%)
(Homo sapiens)
BDBM50031107
PNG
(CHEMBL3337972)
Show SMILES Cc1cc(c(C)s1)-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13)
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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Bioorg Med Chem Lett 24: 5251-5 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Group X secretory phospholipase A2

  (123/123 = 100%)
(Homo sapiens)
BDBM50031107
PNG
(CHEMBL3337972)
Show SMILES Cc1cc(c(C)s1)-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to sPLA2X (unknown origin) by NMR spectroscopy based displacement assay


Bioorg Med Chem Lett 24: 5251-5 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output