BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Protein phosphatase methylesterase 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
protein phosphatase methylesterase 1


(Homo sapiens)
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

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 10n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
protein phosphatase methylesterase 1


(Homo sapiens)
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

PC cid
PC sid
UniChem

Similars

AffyNet 
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...


Citation and Details
More data for this
Ligand-Target Pair
protein phosphatase methylesterase 1


(Homo sapiens)
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
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
protein phosphatase methylesterase 1


(Homo sapiens)
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
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
protein phosphatase methylesterase 1


(Homo sapiens)
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

AffyNet 
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...


Citation and Details
More data for this
Ligand-Target Pair