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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Protein phosphatase 5 (PP5)' 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 5 (PP5)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM50087856
PNG
(CHEMBL3426913)
Show SMILES CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1/C28H30F3NO6/c1-2-3-12-24(26(34)32-20-10-5-4-6-11-20)37-25-17-22(33)21(27(35)36)16-19(25)15-14-18-9-7-8-13-23(18)38-28(29,30)31/h7-9,13,16-17,20,24,33H,2-6,10-12H2,1H3,(H,32,34)(H,35,36)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PP5 (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM50112358
PNG
(CHEMBL3609374)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1/C28H23N3O6S/c32-26(25(38(35,36)37)21-9-5-2-6-10-21)29-23-15-17-24(18-16-23)31-28(34)27(33)30-22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,25H,(H,29,32)(H,30,33)(H,31,34)(H,35,36,37)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM50112357
PNG
(CHEMBL3609375)
Show SMILES CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1
Show InChI InChI=1/C25H25N3O6S/c1-16(2)17-8-10-19(11-9-17)27-24(30)25(31)28-21-14-12-20(13-15-21)26-23(29)22(35(32,33)34)18-6-4-3-5-7-18/h3-16,22H,1-2H3,(H,26,29)(H,27,30)(H,28,31)(H,32,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM50420258
PNG
(CEFSULODIN)
Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1
Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17?,21-/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217372
PNG
(EDASRMEEVD)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C45H73N13O22S/c1-19(2)34(43(78)56-27(44(79)80)17-33(68)69)58-40(75)24(9-12-31(64)65)53-38(73)23(8-11-30(62)63)52-39(74)25(13-15-81-4)54-37(72)22(6-5-14-49-45(47)48)51-42(77)28(18-59)57-35(70)20(3)50-41(76)26(16-32(66)67)55-36(71)21(46)7-10-29(60)61/h19-28,34,59H,5-18,46H2,1-4H3,(H,50,76)(H,51,77)(H,52,74)(H,53,73)(H,54,72)(H,55,71)(H,56,78)(H,57,70)(H,58,75)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,79,80)(H4,47,48,49)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,34-/s2
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n/an/an/a 77n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217375
PNG
(DVEEM)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)=O
Show InChI InChI=1/C24H39N5O12S/c1-11(2)19(29-20(36)12(25)10-18(34)35)23(39)27-14(5-7-17(32)33)21(37)26-13(4-6-16(30)31)22(38)28-15(24(40)41)8-9-42-3/h11-15,19H,4-10,25H2,1-3H3,(H,26,37)(H,27,39)(H,28,38)(H,29,36)(H,30,31)(H,32,33)(H,34,35)(H,40,41)/t12-,13-,14-,15-,19-/s2
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217377
PNG
(GSGPTMEEVD)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C40H64N10O19S/c1-18(2)31(38(66)47-23(40(68)69)14-30(59)60)48-36(64)21(8-10-29(57)58)45-34(62)20(7-9-28(55)56)44-35(63)22(11-13-70-4)46-39(67)32(19(3)52)49-37(65)25-6-5-12-50(25)27(54)16-42-33(61)24(17-51)43-26(53)15-41/h18-25,31-32,51-52H,5-17,41H2,1-4H3,(H,42,61)(H,43,53)(H,44,63)(H,45,62)(H,46,67)(H,47,66)(H,48,64)(H,49,65)(H,55,56)(H,57,58)(H,59,60)(H,68,69)/t19-,20+,21+,22+,23+,24+,25+,31+,32+/s2
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n/an/an/a 133n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217371
PNG
(DDTSRMEEVD)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C45H73N13O23S/c1-18(2)33(42(78)55-26(44(80)81)16-32(69)70)57-39(75)23(8-10-29(63)64)52-37(73)22(7-9-28(61)62)51-38(74)24(11-13-82-4)53-36(72)21(6-5-12-49-45(47)48)50-41(77)27(17-59)56-43(79)34(19(3)60)58-40(76)25(15-31(67)68)54-35(71)20(46)14-30(65)66/h18-27,33-34,59-60H,5-17,46H2,1-4H3,(H,50,77)(H,51,74)(H,52,73)(H,53,72)(H,54,71)(H,55,78)(H,56,79)(H,57,75)(H,58,76)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,80,81)(H4,47,48,49)/t19-,20+,21+,22+,23+,24+,25+,26+,27+,33+,34+/s2
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n/an/an/a 79n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217374
PNG
(GSGPTIEEVD)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C41H66N10O19/c1-6-19(4)32(49-40(68)33(20(5)53)50-37(65)25-8-7-13-51(25)27(55)16-43-34(62)24(17-52)44-26(54)15-42)39(67)46-21(9-11-28(56)57)35(63)45-22(10-12-29(58)59)36(64)48-31(18(2)3)38(66)47-23(41(69)70)14-30(60)61/h18-25,31-33,52-53H,6-17,42H2,1-5H3,(H,43,62)(H,44,54)(H,45,63)(H,46,67)(H,47,66)(H,48,64)(H,49,68)(H,50,65)(H,56,57)(H,58,59)(H,60,61)(H,69,70)/t19-,20+,21-,22-,23-,24-,25-,31-,32-,33-/s2
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n/an/an/a 1.55E+3n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217373
PNG
(SSGPTIEEVD)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C42H68N10O20/c1-6-19(4)32(50-41(70)33(20(5)55)51-38(67)26-8-7-13-52(26)27(56)15-44-35(64)25(17-54)48-34(63)21(43)16-53)40(69)46-22(9-11-28(57)58)36(65)45-23(10-12-29(59)60)37(66)49-31(18(2)3)39(68)47-24(42(71)72)14-30(61)62/h18-26,31-33,53-55H,6-17,43H2,1-5H3,(H,44,64)(H,45,65)(H,46,69)(H,47,68)(H,48,63)(H,49,66)(H,50,70)(H,51,67)(H,57,58)(H,59,60)(H,61,62)(H,71,72)/t19-,20+,21-,22-,23-,24-,25-,26-,31-,32-,33-/s2
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n/an/an/a 1.06E+3n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217376
PNG
(DDTSRIEEVD)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C46H75N13O23/c1-6-19(4)34(43(79)53-23(9-11-28(62)63)37(73)52-24(10-12-29(64)65)39(75)57-33(18(2)3)42(78)55-26(45(81)82)16-32(70)71)58-38(74)22(8-7-13-50-46(48)49)51-41(77)27(17-60)56-44(80)35(20(5)61)59-40(76)25(15-31(68)69)54-36(72)21(47)14-30(66)67/h18-27,33-35,60-61H,6-17,47H2,1-5H3,(H,51,77)(H,52,73)(H,53,79)(H,54,72)(H,55,78)(H,56,80)(H,57,75)(H,58,74)(H,59,76)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,81,82)(H4,48,49,50)/t19-,20+,21-,22-,23-,24-,25-,26-,27-,33-,34-,35-/s2
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n/an/an/a 420n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217369
PNG
(MEEVD)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C24H39N5O12S/c1-11(2)19(23(39)28-15(24(40)41)10-18(34)35)29-22(38)14(5-7-17(32)33)27-21(37)13(4-6-16(30)31)26-20(36)12(25)8-9-42-3/h11-15,19H,4-10,25H2,1-3H3,(H,26,36)(H,27,37)(H,28,39)(H,29,38)(H,30,31)(H,32,33)(H,34,35)(H,40,41)/t12-,13-,14-,15-,19-/s2
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n/an/an/a 140n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM217370
PNG
(IEEVD)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1/C25H41N5O12/c1-5-12(4)19(26)23(39)28-13(6-8-16(31)32)21(37)27-14(7-9-17(33)34)22(38)30-20(11(2)3)24(40)29-15(25(41)42)10-18(35)36/h11-15,19-20H,5-10,26H2,1-4H3,(H,27,37)(H,28,39)(H,29,40)(H,30,38)(H,31,32)(H,33,34)(H,35,36)(H,41,42)/t12-,13-,14-,15-,19-,20-/s2
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n/an/an/a 426n/an/an/an/an/a



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...


J Biol Chem 289: 2908-17 (2014)

More data for this
Ligand-Target Pair