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BDBM50269566 CHEMBL458248::polyozellin

SMILES: CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12

InChI Key: InChIKey=CCNILPFRYYKQOP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50269566   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50269566
PNG
(CHEMBL458248 | polyozellin)
Show SMILES CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12
Show InChI InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)32-22(17)20(30-8(2)24)18-10-4-12(26)14(28)6-16(10)31-21(18)19/h3-6,25-28H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Meiji Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2


J Nat Prod 77: 963-8 (2014)


Article DOI: 10.1021/np401046z
BindingDB Entry DOI: 10.7270/Q24F1S8T
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50269566
PNG
(CHEMBL458248 | polyozellin)
Show SMILES CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12
Show InChI InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)32-22(17)20(30-8(2)24)18-10-4-12(26)14(28)6-16(10)31-21(18)19/h3-6,25-28H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.72E+3n/an/an/an/an/an/a



RIKEN CSRS

Curated by ChEMBL


Assay Description
Inhibition of prolyl oligopeptidase (unknown origin)


Bioorg Med Chem Lett 28: 930-933 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.054
BindingDB Entry DOI: 10.7270/Q26M39DX
More data for this
Ligand-Target Pair
Prolyl oligopeptidase family protein


(Flavobacterium psychrophilum (strain JIP02/86 / AT...)
BDBM50269566
PNG
(CHEMBL458248 | polyozellin)
Show SMILES CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12
Show InChI InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)32-22(17)20(30-8(2)24)18-10-4-12(26)14(28)6-16(10)31-21(18)19/h3-6,25-28H,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



RIKEN CSRS

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium POP preincubated for 5 mins followed by Z-Gly-Pro-pNA substrate measured after 30 mins


Bioorg Med Chem Lett 28: 930-933 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.054
BindingDB Entry DOI: 10.7270/Q26M39DX
More data for this
Ligand-Target Pair
Elastase 1


(Homo sapiens (Human))
BDBM50269566
PNG
(CHEMBL458248 | polyozellin)
Show SMILES CC(=O)Oc1c2oc3cc(O)c(O)cc3c2c(OC(C)=O)c2oc3cc(O)c(O)cc3c12
Show InChI InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)32-22(17)20(30-8(2)24)18-10-4-12(26)14(28)6-16(10)31-21(18)19/h3-6,25-28H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.72E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of Flavobacterium meningosepticum PEP


J Nat Prod 65: 76-8 (2002)


BindingDB Entry DOI: 10.7270/Q23J3CRM
More data for this
Ligand-Target Pair