BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F

InChI Key: InChIKey=PAZIMPXGOOSMCS-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 4 hits for monomerid = 50366811   
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))
BDBM50366811
PNG
(CHEMBL4176544)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-5-12-9-16(18(23)27)24(15(12)10-13)14-3-1-2-11(8-14)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/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
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50366811
PNG
(CHEMBL4176544)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-5-12-9-16(18(23)27)24(15(12)10-13)14-3-1-2-11(8-14)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-5 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate p...


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
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366811
PNG
(CHEMBL4176544)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-5-12-9-16(18(23)27)24(15(12)10-13)14-3-1-2-11(8-14)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A 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))
BDBM50366811
PNG
(CHEMBL4176544)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-5-12-9-16(18(23)27)24(15(12)10-13)14-3-1-2-11(8-14)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/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