Compile Data Set for Download or QSAR
Found 24 Enz. Inhib. hit(s) with all data for entry = 50040052
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM41999(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
Affinity DataKi:  70nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM41999(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
Affinity DataKi:  80nMAssay Description:Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM26617(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
Affinity DataKi:  2.30E+3nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM26617(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
Affinity DataKi:  5.30E+3nMAssay Description:Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388538(CHEMBL507159)
Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)
Affinity DataKi:  8.40E+4nMAssay Description:Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50328823(5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...)
Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)
Affinity DataKi:  1.39E+5nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50328823(5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...)
Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)
Affinity DataKi:  1.59E+5nMAssay Description:Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388538(CHEMBL507159)
Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)
Affinity DataKi:  2.03E+5nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50267086(Adociaquinone B | CHEMBL476648)
Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21
Show InChI InChI=1S/C22H17NO6S/c1-22-4-2-3-10-9-29-20(15(10)22)18(25)13-7-11-12(8-14(13)22)19(26)21-16(17(11)24)23-5-6-30(21,27)28/h7-9,21H,2-6H2,1H3/t21?,22-/m0/s1
Affinity DataIC50: 70nMAssay Description:Inhibition of Cdc25BMore data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM41999(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
Affinity DataIC50: 100nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM41999(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
Affinity DataIC50: 240nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM41999(3-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)propionic ...)
Show SMILES OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
Show InChI InChI=1S/C16H12O7/c17-10-4-1-8-7(3-6-12(19)20)9-2-5-11(18)14(22)16(9)23-15(8)13(10)21/h1-2,4-5,17,21-22H,3,6H2,(H,19,20)
Affinity DataIC50: 330nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate in presence...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388540(CHEMBL2059274)
Show SMILES OC(=O)c1cccc(NC2=CC(=O)C(=O)c3ccccc23)c1
Show InChI InChI=1S/C17H11NO4/c19-15-9-14(12-6-1-2-7-13(12)16(15)20)18-11-5-3-4-10(8-11)17(21)22/h1-9,18H,(H,21,22)
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM26617(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388543(CHEMBL1481453)
Show SMILES CNc1ccc(cc1[N+]([O-])=O)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C15H12N2O5/c1-16-12-7-6-9(8-13(12)17(21)22)14(18)10-4-2-3-5-11(10)15(19)20/h2-8,16H,1H3,(H,19,20)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388539(CHEMBL1408031)
Show SMILES OC(=O)c1cc(=O)[nH]c(NC2=CC(=O)C(=O)c3ccccc23)n1
Show InChI InChI=1S/C15H9N3O5/c19-11-5-9(7-3-1-2-4-8(7)13(11)21)16-15-17-10(14(22)23)6-12(20)18-15/h1-6H,(H,22,23)(H2,16,17,18,20)
Affinity DataIC50: 9.90E+3nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM26617(4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
Affinity DataIC50: 1.75E+4nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388542(CHEMBL2059074)
Show SMILES Nc1ccc(cc1S(=O)(=O)c1cc(ccc1N)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H12N2O6S/c15-9-3-1-7(13(17)18)5-11(9)23(21,22)12-6-8(14(19)20)2-4-10(12)16/h1-6H,15-16H2,(H,17,18)(H,19,20)
Affinity DataIC50: 2.01E+4nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388537(CHEMBL1333982)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14O3/c21-19(17-8-4-5-9-18(17)20(22)23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,22,23)
Affinity DataIC50: 2.31E+4nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388541(CHEMBL1370674)
Show SMILES Nc1ccc(Cc2ccc(N)c(c2)C(O)=O)cc1C(O)=O
Show InChI InChI=1S/C15H14N2O4/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7H,5,16-17H2,(H,18,19)(H,20,21)
Affinity DataIC50: 2.38E+4nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388538(CHEMBL507159)
Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)
Affinity DataIC50: 8.60E+4nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 1(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50328823(5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...)
Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50388538(CHEMBL507159)
Show SMILES COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(O)(=O)=O
Show InChI InChI=1S/C18H17NO5S/c1-11-7-18(20)19-15-5-3-12(9-14(11)15)8-13-4-6-16(24-2)17(10-13)25(21,22)23/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,21,22,23)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
Universit£ di Napoli Federico II

Curated by ChEMBL
LigandPNGBDBM50328823(5,5'-(3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl)dif...)
Show SMILES OS(=O)(=O)c1ccc(o1)-c1nnc(nc1-c1ccc(o1)S(O)(=O)=O)-c1ccccn1
Show InChI InChI=1S/C16H10N4O8S2/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9/h1-8H,(H,21,22,23)(H,24,25,26)
Affinity DataIC50: 1.73E+5nMAssay Description:Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...More data for this Ligand-Target Pair