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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Group 10 secretory phospholipase A2' and Ligand = 'BDBM50458607'   
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 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50458607
PNG
(CHEMBL4207065)
Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1ccc(CCC(O)=O)o1
Show InChI InChI=1S/C17H13F3N2O5/c18-17(19,20)27-11-2-1-9-7-13(16(21)25)22(12(9)8-11)14-5-3-10(26-14)4-6-15(23)24/h1-3,5,7-8H,4,6H2,(H2,21,25)(H,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...


ACS Med Chem Lett 9: 600-605 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00507
BindingDB Entry DOI: 10.7270/Q2Z32272
More data for this
Ligand-Target Pair