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SMILES: CC(Cc1cccc(c1)-c1cc(Cc2ccccc2)ccc1C(N)=O)C(O)=O

InChI Key: InChIKey=PXRCDPVYRPKGGI-UHFFFAOYSA-N

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 2 hits for monomerid = 50534275   
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
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50534275
PNG
(CHEMBL4451830)
Show SMILES CC(Cc1cccc(c1)-c1cc(Cc2ccccc2)ccc1C(N)=O)C(O)=O
Show InChI InChI=1S/C24H23NO3/c1-16(24(27)28)12-18-8-5-9-20(14-18)22-15-19(10-11-21(22)23(25)26)13-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H2,25,26)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Astrazeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant sPLA2-2A (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate preincubated for 10 mins foll...


ACS Med Chem Lett 7: 884-889 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00188
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50534275
PNG
(CHEMBL4451830)
Show SMILES CC(Cc1cccc(c1)-c1cc(Cc2ccccc2)ccc1C(N)=O)C(O)=O
Show InChI InChI=1S/C24H23NO3/c1-16(24(27)28)12-18-8-5-9-20(14-18)22-15-19(10-11-21(22)23(25)26)13-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H2,25,26)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Astrazeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate preincubated for 10 mins foll...


ACS Med Chem Lett 7: 884-889 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00188
More data for this
Ligand-Target Pair