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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 = 'BDBM50366840'   
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))
BDBM50366840
PNG
(CHEMBL4174522)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C#N
Show InChI InChI=1S/C19H15N3O3/c20-11-13-4-6-14-10-17(19(21)25)22(16(14)9-13)15-3-1-2-12(8-15)5-7-18(23)24/h1-4,6,8-10H,5,7H2,(H2,21,25)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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))
BDBM50366840
PNG
(CHEMBL4174522)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C#N
Show InChI InChI=1S/C19H15N3O3/c20-11-13-4-6-14-10-17(19(21)25)22(16(14)9-13)15-3-1-2-12(8-15)5-7-18(23)24/h1-4,6,8-10H,5,7H2,(H2,21,25)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 990n/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