BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'speers' and Initial = 'ae'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Myeloperoxidase


(Homo sapiens (Human))
BDBM119872
PNG
(3‐(2‐ethoxypropyl)‐2‐sulfa...)
Show SMILES CCOC(C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
413n/an/an/an/an/an/a7.4n/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM119874
PNG
(3‐[(2S)‐2‐ethoxypropyl]‐2&...)
Show SMILES CCO[C@@H](C)Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
429n/an/an/an/an/an/a7.4n/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM119873
PNG
(3‐[(2R)‐2‐ethoxypropyl]‐2&...)
Show SMILES CCO[C@H](C)Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H14N4O2S/c1-3-16-6(2)4-14-8-7(11-5-12-8)9(15)13-10(14)17/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,15,17)/t6-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
546n/an/an/an/an/an/a7.4n/a



Pfizer Worldwide Research and Development



Assay Description
Assay mixtures (100 µL) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. Th...


Biochemistry 52: 9187-201 (2013)


Article DOI: 10.1021/bi401354d
BindingDB Entry DOI: 10.7270/Q2K35SBT
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Homo sapiens (Human))
BDBM75707
PNG
((3R)-3-cyclopentyl-4-keto-3-phenyl-diazetidine-1,2...)
Show SMILES COC(=O)N1N(C(=O)OC)[C@@](C2CCCC2)(C1=O)c1ccccc1
Show InChI InChI=1S/C17H20N2O5/c1-23-15(21)18-14(20)17(13-10-6-7-11-13,19(18)16(22)24-2)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in human MDA-MB-231 cells after 30 mins by fluorescence polarization activity-based protein profiling assa...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400986
PNG
(CHEMBL1550905)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cccc1\C=C(/C#N)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H12FN3O6S2/c20-14-6-8-17(9-7-14)30(26,27)19(13-21)11-15-4-2-10-22(15)31(28,29)18-5-1-3-16(12-18)23(24)25/h1-12H/b19-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Homo sapiens (Human))
BDBM50400986
PNG
(CHEMBL1550905)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cccc1\C=C(/C#N)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H12FN3O6S2/c20-14-6-8-17(9-7-14)30(26,27)19(13-21)11-15-4-2-10-22(15)31(28,29)18-5-1-3-16(12-18)23(24)25/h1-12H/b19-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in human HEK293T cells after 45 mins by fluorescence polarization activity-based protein profiling assay


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400987
PNG
(CHEMBL1316687)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1cccc(c1)C#N)\C#N
Show InChI InChI=1S/C20H12FN3O4S2/c21-16-6-8-18(9-7-16)29(25,26)20(14-23)12-17-4-2-10-24(17)30(27,28)19-5-1-3-15(11-19)13-22/h1-12H/b20-12+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 640n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154536
PNG
(2-(4-tert-butylphenyl)-1-(4-methylbenzenesulfonyl)...)
Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(O)=O |c:10|
Show InChI InChI=1S/C30H33NO4S/c1-20-6-10-22(11-7-20)27-19-18-26(29(32)33)28(23-12-14-24(15-13-23)30(3,4)5)31(27)36(34,35)25-16-8-21(2)9-17-25/h6-18,27-28H,19H2,1-5H3,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154531
PNG
(2-(4-bromophenyl)-6-(4-chlorophenyl)-1-(4-methylbe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(CC=C(C1c1ccc(Br)cc1)C(O)=O)c1ccc(Cl)cc1 |c:14|
Show InChI InChI=1S/C25H21BrClNO4S/c1-16-2-12-21(13-3-16)33(31,32)28-23(17-6-10-20(27)11-7-17)15-14-22(25(29)30)24(28)18-4-8-19(26)9-5-18/h2-14,23-24H,15H2,1H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154529
PNG
(2-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-6-[...)
Show SMILES CC(C)c1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1)C(O)=O |c:12|
Show InChI InChI=1S/C28H28FNO4S/c1-18(2)20-6-8-21(9-7-20)26-17-16-25(28(31)32)27(22-10-12-23(29)13-11-22)30(26)35(33,34)24-14-4-19(3)5-15-24/h4-16,18,26-27H,17H2,1-3H3,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154534
PNG
(2-(4-bromophenyl)-6-(3,4-dichlorophenyl)-1-(4-meth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(CC=C(C1c1ccc(Br)cc1)C(O)=O)c1ccc(Cl)c(Cl)c1 |c:14|
Show InChI InChI=1S/C25H20BrCl2NO4S/c1-15-2-9-19(10-3-15)34(32,33)29-23(17-6-12-21(27)22(28)14-17)13-11-20(25(30)31)24(29)16-4-7-18(26)8-5-16/h2-12,14,23-24H,13H2,1H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154540
PNG
(2-(4-(tert-butyl)phenyl)-N-(2-methoxyethyl)-6-(p-t...)
Show SMILES COCCNC(=O)C1=CCC(N(C1c1ccc(cc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |t:7|
Show InChI InChI=1S/C33H40N2O4S/c1-23-7-11-25(12-8-23)30-20-19-29(32(36)34-21-22-39-6)31(26-13-15-27(16-14-26)33(3,4)5)35(30)40(37,38)28-17-9-24(2)10-18-28/h7-19,30-31H,20-22H2,1-6H3,(H,34,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154535
PNG
(2-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-6-(...)
Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1)C(O)=O |c:10|
Show InChI InChI=1S/C26H24FNO4S/c1-17-3-7-19(8-4-17)24-16-15-23(26(29)30)25(20-9-11-21(27)12-10-20)28(24)33(31,32)22-13-5-18(2)6-14-22/h3-15,24-25H,16H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400996
PNG
(CHEMBL1699083)
Show SMILES CS(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1cccc(c1)C#N)\C#N
Show InChI InChI=1S/C15H11N3O4S2/c1-23(19,20)15(11-17)9-13-5-3-7-18(13)24(21,22)14-6-2-4-12(8-14)10-16/h2-9H,1H3/b15-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400995
PNG
(CHEMBL1706554)
Show SMILES CS(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)\C#N
Show InChI InChI=1S/C14H11N3O6S2/c1-24(20,21)14(10-15)9-12-3-2-8-16(12)25(22,23)13-6-4-11(5-7-13)17(18)19/h2-9H,1H3/b14-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400994
PNG
(CHEMBL1719837)
Show SMILES CS(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1ccc(Cl)cc1)\C#N
Show InChI InChI=1S/C14H11ClN2O4S2/c1-22(18,19)14(10-16)9-12-3-2-8-17(12)23(20,21)13-6-4-11(15)5-7-13/h2-9H,1H3/b14-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400988
PNG
(CHEMBL1701914)
Show SMILES CC(C)(C)S(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1cccc(c1)C#N)\C#N
Show InChI InChI=1S/C18H17N3O4S2/c1-18(2,3)26(22,23)17(13-20)11-15-7-5-9-21(15)27(24,25)16-8-4-6-14(10-16)12-19/h4-11H,1-3H3/b17-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Homo sapiens (Human))
BDBM50400986
PNG
(CHEMBL1550905)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cccc1\C=C(/C#N)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H12FN3O6S2/c20-14-6-8-17(9-7-14)30(26,27)19(13-21)11-15-4-2-10-22(15)31(28,29)18-5-1-3-16(12-18)23(24)25/h1-12H/b19-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in HEK293T cells after 1 hr by fluorescence polarization activity-based protein profiling assay


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400993
PNG
(CHEMBL1729870)
Show SMILES CS(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1ccc(cc1)C#N)\C#N
Show InChI InChI=1S/C15H11N3O4S2/c1-23(19,20)15(11-17)9-13-3-2-8-18(13)24(21,22)14-6-4-12(10-16)5-7-14/h2-9H,1H3/b15-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154530
PNG
(1-(4-methylbenzenesulfonyl)-2-(4-methylphenyl)-6-[...)
Show SMILES CC(C)c1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1)C(O)=O |c:12|
Show InChI InChI=1S/C29H31NO4S/c1-19(2)22-11-13-23(14-12-22)27-18-17-26(29(31)32)28(24-9-5-20(3)6-10-24)30(27)35(33,34)25-15-7-21(4)8-16-25/h5-17,19,27-28H,18H2,1-4H3,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154542
PNG
(5-(bromomethyl)-6-(4-(tert-butyl)phenyl)-2-(p-toly...)
Show SMILES Cc1ccc(cc1)C1CC=C(CBr)C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C |t:10|
Show InChI InChI=1S/C30H34BrNO2S/c1-21-6-10-23(11-7-21)28-19-14-25(20-31)29(24-12-15-26(16-13-24)30(3,4)5)32(28)35(33,34)27-17-8-22(2)9-18-27/h6-18,28-29H,19-20H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400989
PNG
(CHEMBL1718102)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1ccccc1)\C#N
Show InChI InChI=1S/C19H13FN2O4S2/c20-15-8-10-17(11-9-15)27(23,24)19(14-21)13-16-5-4-12-22(16)28(25,26)18-6-2-1-3-7-18/h1-13H/b19-13+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400991
PNG
(CHEMBL1711185)
Show SMILES CC(C)(C)S(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1ccccc1)\C#N
Show InChI InChI=1S/C17H18N2O4S2/c1-17(2,3)24(20,21)16(13-18)12-14-8-7-11-19(14)25(22,23)15-9-5-4-6-10-15/h4-12H,1-3H3/b16-12+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154541
PNG
(N-allyl-2-(4-(tert-butyl)phenyl)-6-(p-tolyl)-1-tos...)
Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(=O)NCC=C |c:10|
Show InChI InChI=1S/C33H38N2O3S/c1-7-22-34-32(36)29-20-21-30(25-12-8-23(2)9-13-25)35(39(37,38)28-18-10-24(3)11-19-28)31(29)26-14-16-27(17-15-26)33(4,5)6/h7-20,30-31H,1,21-22H2,2-6H3,(H,34,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154543
PNG
(N-((2-(4-(tert-butyl)phenyl)-6-(p-tolyl)-1-tosyl-1...)
Show SMILES Cc1ccc(cc1)C1CC=C(CNC2CC2)C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C |t:10|
Show InChI InChI=1S/C33H40N2O2S/c1-23-6-10-25(11-7-23)31-21-14-27(22-34-29-17-18-29)32(26-12-15-28(16-13-26)33(3,4)5)35(31)38(36,37)30-19-8-24(2)9-20-30/h6-16,19-20,29,31-32,34H,17-18,21-22H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154533
PNG
(2-(3-chlorophenyl)-1-(4-methylbenzenesulfonyl)-6-(...)
Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1)C(O)=O |c:10|
Show InChI InChI=1S/C26H24ClNO4S/c1-17-6-10-19(11-7-17)24-15-14-23(26(29)30)25(20-4-3-5-21(27)16-20)28(24)33(31,32)22-12-8-18(2)9-13-22/h3-14,16,24-25H,15H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154538
PNG
(2-(4-(tert-butyl)phenyl)-N-cyclopropyl-6-(p-tolyl)...)
Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(=O)NC1CC1 |c:10|
Show InChI InChI=1S/C33H38N2O3S/c1-22-6-10-24(11-7-22)30-21-20-29(32(36)34-27-16-17-27)31(25-12-14-26(15-13-25)33(3,4)5)35(30)39(37,38)28-18-8-23(2)9-19-28/h6-15,18-20,27,30-31H,16-17,21H2,1-5H3,(H,34,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154532
PNG
(2-(3-chlorophenyl)-6-(4-ethylphenyl)-1-(4-methylbe...)
Show SMILES CCc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1)C(O)=O |c:11|
Show InChI InChI=1S/C27H26ClNO4S/c1-3-19-9-11-20(12-10-19)25-16-15-24(27(30)31)26(21-5-4-6-22(28)17-21)29(25)34(32,33)23-13-7-18(2)8-14-23/h4-15,17,25-26H,3,16H2,1-2H3,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.40E+3n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154537
PNG
(2-(4-(tert-butyl)phenyl)-N-methyl-6-(p-tolyl)-1-to...)
Show SMILES CNC(=O)C1=CCC(N(C1c1ccc(cc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |t:4|
Show InChI InChI=1S/C31H36N2O3S/c1-21-7-11-23(12-8-21)28-20-19-27(30(34)32-6)29(24-13-15-25(16-14-24)31(3,4)5)33(28)37(35,36)26-17-9-22(2)10-18-26/h7-19,28-29H,20H2,1-6H3,(H,32,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154544
PNG
(Methyl-2-(4-(tert-butyl)phenyl)-6-(p-tolyl)-1-tosy...)
Show SMILES COC(=O)C1=CCC(N(C1c1ccc(cc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |t:4|
Show InChI InChI=1S/C31H35NO4S/c1-21-7-11-23(12-8-21)28-20-19-27(30(33)36-6)29(24-13-15-25(16-14-24)31(3,4)5)32(28)37(34,35)26-17-9-22(2)10-18-26/h7-19,28-29H,20H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2


(Mus musculus (Mouse))
BDBM154539
PNG
(2-(4-(tert-butyl)phenyl)-N-cyclohexyl-6-(p-tolyl)-...)
Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(=O)NC1CCCCC1 |c:10|
Show InChI InChI=1S/C36H44N2O3S/c1-25-11-15-27(16-12-25)33-24-23-32(35(39)37-30-9-7-6-8-10-30)34(28-17-19-29(20-18-28)36(3,4)5)38(33)42(40,41)31-21-13-26(2)14-22-31/h11-23,30,33-34H,6-10,24H2,1-5H3,(H,37,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.5n/a



University of California, Berkeley



Assay Description
For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...


ACS Chem Biol 10: 925-32 (2015)


Article DOI: 10.1021/cb500893q
BindingDB Entry DOI: 10.7270/Q2CJ8C6T
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Homo sapiens (Human))
BDBM50400997
PNG
(CHEMBL1521288)
Show SMILES CS(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1ccccc1)\C#N
Show InChI InChI=1S/C14H12N2O4S2/c1-21(17,18)14(11-15)10-12-6-5-9-16(12)22(19,20)13-7-3-2-4-8-13/h2-10H,1H3/b14-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in human MDA-MB-231 cells after 30 mins by fluorescence polarization activity-based protein profiling assa...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400990
PNG
(CHEMBL1723004)
Show SMILES O=S(=O)(C(=C\c1cccn1S(=O)(=O)c1ccccc1)\C#N)c1ccccc1
Show InChI InChI=1S/C19H14N2O4S2/c20-15-19(26(22,23)17-9-3-1-4-10-17)14-16-8-7-13-21(16)27(24,25)18-11-5-2-6-12-18/h1-14H/b19-14+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair
Protein phosphatase methylesterase 1


(Mus musculus)
BDBM50400992
PNG
(CHEMBL1701983)
Show SMILES CS(=O)(=O)C(=C\c1cccn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)\C#N
Show InChI InChI=1S/C14H7F5N2O4S2/c1-26(22,23)8(6-20)5-7-3-2-4-21(7)27(24,25)14-12(18)10(16)9(15)11(17)13(14)19/h2-5H,1H3/b8-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profilin...


J Med Chem 54: 5229-36 (2011)


Article DOI: 10.1021/jm200502u
BindingDB Entry DOI: 10.7270/Q2GX4CR6
More data for this
Ligand-Target Pair