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BDBM50040458 (S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-ylsulfanyl)-pentanoic acid::CHEMBL152402

SMILES: CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1

InChI Key: InChIKey=PLKZQOUEMBHADV-DORXLWPQSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50040458   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Group X secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040458
PNG
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


Article DOI: 10.1021/jm00031a001
BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group VII phospholipase A2


(Sus scrofa)
BDBM50040458
PNG
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


Article DOI: 10.1021/jm00031a001
BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50040458
PNG
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets


J Med Chem 37: 557-9 (1994)


Article DOI: 10.1021/jm00031a001
BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair