BindingDB logo
myBDB logout

11 similar compounds to monomer 50110846

Compile data set for download or QSAR
Wt: 235.2
BDBM23439
Purchase
Wt: 250.3
BDBM74417
Purchase
Wt: 330.3
BDBM50110856
Wt: 386.4
BDBM50110857
Wt: 428.5
BDBM50110866
Wt: 358.3
BDBM50110870
Wt: 456.5
BDBM50110872
Wt: 470.5
BDBM50110873
Wt: 448.5
BDBM50110879
Wt: 414.4
BDBM50110884
Wt: 442.5
BDBM50110888

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 23439,74417,50110856,50110857,50110866,50110870,50110872,50110873,50110879,50110884,50110888   
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
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM23439
PNG
(4-(heptyloxy)benzoate | benzoic acid derivative, 8)
Show SMILES CCCCCCCOc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.30E+3n/an/an/a7.030



University of San Francisco



Assay Description
Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...


Bioorg Med Chem 15: 2617-23 (2007)


Article DOI: 10.1016/j.bmc.2007.01.044
BindingDB Entry DOI: 10.7270/Q2TT4P8Q
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110856
PNG
(4-[3-(4-Ethoxy-phenoxy)-2-oxo-propoxy]-benzoic aci...)
Show SMILES CCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C18H18O6/c1-2-22-15-7-9-17(10-8-15)24-12-14(19)11-23-16-5-3-13(4-6-16)18(20)21/h3-10H,2,11-12H2,1H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110856
PNG
(4-[3-(4-Ethoxy-phenoxy)-2-oxo-propoxy]-benzoic aci...)
Show SMILES CCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C18H18O6/c1-2-22-15-7-9-17(10-8-15)24-12-14(19)11-23-16-5-3-13(4-6-16)18(20)21/h3-10H,2,11-12H2,1H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110870
PNG
(4-[3-(4-Butoxy-phenoxy)-2-oxo-propoxy]-benzoic aci...)
Show SMILES CCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C20H22O6/c1-2-3-12-24-17-8-10-19(11-9-17)26-14-16(21)13-25-18-6-4-15(5-7-18)20(22)23/h4-11H,2-3,12-14H2,1H3,(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110866
PNG
(4-[3-(4-Decyloxy-phenoxy)-propoxy]-benzoic acid | ...)
Show SMILES CCCCCCCCCCOc1ccc(OCCCOc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H36O5/c1-2-3-4-5-6-7-8-9-19-29-24-15-17-25(18-16-24)31-21-10-20-30-23-13-11-22(12-14-23)26(27)28/h11-18H,2-10,19-21H2,1H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110857
PNG
(4-[3-(4-Hexyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C22H26O6/c1-2-3-4-5-14-26-19-10-12-21(13-11-19)28-16-18(23)15-27-20-8-6-17(7-9-20)22(24)25/h6-13H,2-5,14-16H2,1H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110884
PNG
(4-[3-(4-Octyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H30O6/c1-2-3-4-5-6-7-16-28-21-12-14-23(15-13-21)30-18-20(25)17-29-22-10-8-19(9-11-22)24(26)27/h8-15H,2-7,16-18H2,1H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110879
PNG
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110870
PNG
(4-[3-(4-Butoxy-phenoxy)-2-oxo-propoxy]-benzoic aci...)
Show SMILES CCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C20H22O6/c1-2-3-12-24-17-8-10-19(11-9-17)26-14-16(21)13-25-18-6-4-15(5-7-18)20(22)23/h4-11H,2-3,12-14H2,1H3,(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110872
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-32-25-14-16-26(17-15-25)33-21-24(28)20-31-19-22-10-12-23(13-11-22)27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110873
PNG
(4-[3-(4-Dodecyloxy-phenoxy)-2-oxo-propoxy]-benzoic...)
Show SMILES CCCCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C28H38O6/c1-2-3-4-5-6-7-8-9-10-11-20-32-25-16-18-27(19-17-25)34-22-24(29)21-33-26-14-12-23(13-15-26)28(30)31/h12-19H,2-11,20-22H2,1H3,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110879
PNG
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110884
PNG
(4-[3-(4-Octyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H30O6/c1-2-3-4-5-6-7-16-28-21-12-14-23(15-13-21)30-18-20(25)17-29-22-10-8-19(9-11-22)24(26)27/h8-15H,2-7,16-18H2,1H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110888
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-17-30-23-13-15-24(16-14-23)31-19-22(27)20-32-25-12-10-11-21(18-25)26(28)29/h10-16,18H,2-9,17,19-20H2,1H3,(H,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110866
PNG
(4-[3-(4-Decyloxy-phenoxy)-propoxy]-benzoic acid | ...)
Show SMILES CCCCCCCCCCOc1ccc(OCCCOc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H36O5/c1-2-3-4-5-6-7-8-9-19-29-24-15-17-25(18-16-24)31-21-10-20-30-23-13-11-22(12-14-23)26(27)28/h11-18H,2-10,19-21H2,1H3,(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110857
PNG
(4-[3-(4-Hexyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C22H26O6/c1-2-3-4-5-14-26-19-10-12-21(13-11-19)28-16-18(23)15-27-20-8-6-17(7-9-20)22(24)25/h6-13H,2-5,14-16H2,1H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


Article DOI: 10.1021/jm011050x
BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM74417
PNG
(4-octoxybenzoic acid | MLS002454443 | SMR001372025...)
Show SMILES CCCCCCCCOc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair