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SMILES: NC(=O)c1ccc(Cc2ccccc2)cc1

InChI Key: InChIKey=BGTIIRYHWGADFD-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50534281   
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 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50534281
PNG
(CHEMBL4536076)
Show SMILES NC(=O)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C14H13NO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.20E+3n/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
3D
3D Structure (crystal)
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50534281
PNG
(CHEMBL4536076)
Show SMILES NC(=O)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C14H13NO/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.40E+4n/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