Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Protein phosphatase methylesterase 1' AND taxid = 10090   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein phosphatase methylesterase 1 (Mus musculus)	BDBM50400986 (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/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50400987 (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/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50400996 (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/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50400993 (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/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50400989 (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/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50400990 (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/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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