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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Group 10 secretory phospholipase A2' and Ligand = 'BDBM50366839'   
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))
BDBM50366839
PNG
(CHEMBL4175583)
Show SMILES NC(=O)c1cc2ccc(OCC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C20H17F3N2O4/c21-20(22,23)11-29-15-6-5-13-9-17(19(24)28)25(16(13)10-15)14-3-1-2-12(8-14)4-7-18(26)27/h1-3,5-6,8-10H,4,7,11H2,(H2,24,28)(H,26,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 93n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


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
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366839
PNG
(CHEMBL4175583)
Show SMILES NC(=O)c1cc2ccc(OCC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C20H17F3N2O4/c21-20(22,23)11-29-15-6-5-13-9-17(19(24)28)25(16(13)10-15)14-3-1-2-12(8-14)4-7-18(26)27/h1-3,5-6,8-10H,4,7,11H2,(H2,24,28)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


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