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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2 group V' and Ligand = 'BDBM50366784'   
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 group V


(Homo sapiens (Human))
BDBM50366784
PNG
(CHEMBL4171084)
Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of sPLA2-5 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substra...


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
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50366784
PNG
(CHEMBL4171084)
Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.23E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-5 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate p...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair