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Compile Data Set for Download or QSAR

Found 10 hits of ki for UniProtKB: P36873   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375611
PNG
(CHEMBL408120)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C53H81FN6O16/c1-28(2)47(74-45(66)26-41(63)46(52(70)71)34(8)51(68)69)49(72-10)42(64)25-40(62)33(7)39(61)16-12-31(5)48-32(6)19-21-53(76-48)20-18-30(4)43(75-53)17-13-29(3)35(9)59-73-27-44(65)56-22-11-23-57-50(67)36-14-15-37(54)38(24-36)58-60-55/h14-15,24,28-33,39,41-43,47-49,61,63-64H,11-13,16-23,25-27H2,1-10H3,(H,56,65)(H,57,67)(H,68,69)(H,70,71)/b46-34-,59-35+/t29-,30+,31+,32-,33-,39-,41+,42+,43-,47+,48-,49-,53+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375608
PNG
(CHEMBL406220)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C |r|
Show InChI InChI=1S/C41H68O14/c1-21(2)36(53-34(47)20-31(45)35(40(50)51)27(8)39(48)49)38(52-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(55-37)17-15-23(4)33(54-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3,(H,48,49)(H,50,51)/b35-27-/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375616
PNG
(CHEMBL405248)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)Nc3cccc(c3)C(=O)c3ccccc3)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C56H80N2O16/c1-31(2)51(72-48(64)29-44(61)49(55(68)69)37(8)54(66)67)53(70-10)45(62)28-43(60)36(7)42(59)21-19-34(5)52-35(6)24-26-56(74-52)25-23-33(4)46(73-56)22-20-32(3)38(9)58-71-30-47(63)57-41-18-14-17-40(27-41)50(65)39-15-12-11-13-16-39/h11-18,27,31-36,42,44-46,51-53,59,61-62H,19-26,28-30H2,1-10H3,(H,57,63)(H,66,67)(H,68,69)/b49-37-,58-38+/t32-,33+,34+,35-,36-,42-,44+,45+,46-,51+,52-,53-,56+/m0/s1
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8n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375613
PNG
(CHEMBL261577)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C52H79FN6O16/c1-27(2)46(73-44(65)25-40(62)45(51(69)70)33(8)50(67)68)48(71-10)41(63)24-39(61)32(7)38(60)15-11-30(5)47-31(6)18-20-52(75-47)19-17-29(4)42(74-52)16-12-28(3)34(9)58-72-26-43(64)55-21-22-56-49(66)35-13-14-36(53)37(23-35)57-59-54/h13-14,23,27-32,38,40-42,46-48,60,62-63H,11-12,15-22,24-26H2,1-10H3,(H,55,64)(H,56,66)(H,67,68)(H,69,70)/b45-33-,58-34-/t28-,29+,30+,31-,32-,38-,40+,41+,42-,46+,47-,48-,52+/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375612
PNG
(CHEMBL427915)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C52H79FN6O16/c1-27(2)46(73-44(65)25-40(62)45(51(69)70)33(8)50(67)68)48(71-10)41(63)24-39(61)32(7)38(60)15-11-30(5)47-31(6)18-20-52(75-47)19-17-29(4)42(74-52)16-12-28(3)34(9)58-72-26-43(64)55-21-22-56-49(66)35-13-14-36(53)37(23-35)57-59-54/h13-14,23,27-32,38,40-42,46-48,60,62-63H,11-12,15-22,24-26H2,1-10H3,(H,55,64)(H,56,66)(H,67,68)(H,69,70)/b45-33-,58-34+/t28-,29+,30+,31-,32-,38-,40+,41+,42-,46+,47-,48-,52+/m0/s1
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17.3n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375609
PNG
(CHEMBL406283)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCSSCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C54H83FN6O16S2/c1-29(2)48(75-46(67)27-42(64)47(53(71)72)35(8)52(69)70)50(73-10)43(65)26-41(63)34(7)40(62)15-11-32(5)49-33(6)18-20-54(77-49)19-17-31(4)44(76-54)16-12-30(3)36(9)60-74-28-45(66)57-21-23-78-79-24-22-58-51(68)37-13-14-38(55)39(25-37)59-61-56/h13-14,25,29-34,40,42-44,48-50,62,64-65H,11-12,15-24,26-28H2,1-10H3,(H,57,66)(H,58,68)(H,69,70)(H,71,72)/b47-35-,60-36+/t30-,31+,32+,33-,34-,40-,42+,43+,44-,48+,49-,50-,54+/m0/s1
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19.6n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375614
PNG
(CHEMBL259235)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCNC(=O)c3ccc(cc3OC)C3(N=N3)C(F)(F)F)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C |c:51|
Show InChI InChI=1S/C55H82F3N5O17/c1-28(2)47(78-45(69)26-40(66)46(52(73)74)34(8)51(71)72)49(76-11)41(67)25-39(65)33(7)38(64)16-12-31(5)48-32(6)19-21-53(80-48)20-18-30(4)42(79-53)17-13-29(3)35(9)61-77-27-44(68)59-22-23-60-50(70)37-15-14-36(24-43(37)75-10)54(62-63-54)55(56,57)58/h14-15,24,28-33,38,40-42,47-49,64,66-67H,12-13,16-23,25-27H2,1-11H3,(H,59,68)(H,60,70)(H,71,72)(H,73,74)/b46-34-,61-35+/t29-,30+,31+,32-,33-,38-,40+,41+,42-,47+,48-,49-,53+/m0/s1
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21.3n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375610
PNG
(CHEMBL436904)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCSSCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C54H83FN6O16S2/c1-29(2)48(75-46(67)27-42(64)47(53(71)72)35(8)52(69)70)50(73-10)43(65)26-41(63)34(7)40(62)15-11-32(5)49-33(6)18-20-54(77-49)19-17-31(4)44(76-54)16-12-30(3)36(9)60-74-28-45(66)57-21-23-78-79-24-22-58-51(68)37-13-14-38(55)39(25-37)59-61-56/h13-14,25,29-34,40,42-44,48-50,62,64-65H,11-12,15-24,26-28H2,1-10H3,(H,57,66)(H,58,68)(H,69,70)(H,71,72)/b47-35-,60-36-/t30-,31+,32+,33-,34-,40-,42+,43+,44-,48+,49-,50-,54+/m0/s1
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23.9n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375617
PNG
(CHEMBL261094)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)Nc3cccc(c3)C(=O)c3ccccc3)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C56H80N2O16/c1-31(2)51(72-48(64)29-44(61)49(55(68)69)37(8)54(66)67)53(70-10)45(62)28-43(60)36(7)42(59)21-19-34(5)52-35(6)24-26-56(74-52)25-23-33(4)46(73-56)22-20-32(3)38(9)58-71-30-47(63)57-41-18-14-17-40(27-41)50(65)39-15-12-11-13-16-39/h11-18,27,31-36,42,44-46,51-53,59,61-62H,19-26,28-30H2,1-10H3,(H,57,63)(H,66,67)(H,68,69)/b49-37-,58-38-/t32-,33+,34+,35-,36-,42-,44+,45+,46-,51+,52-,53-,56+/m0/s1
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32.5n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50375615
PNG
(CHEMBL261583)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCNC(=O)c3ccc(cc3OC)C3(N=N3)C(F)(F)F)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C |c:51|
Show InChI InChI=1S/C55H82F3N5O17/c1-28(2)47(78-45(69)26-40(66)46(52(73)74)34(8)51(71)72)49(76-11)41(67)25-39(65)33(7)38(64)16-12-31(5)48-32(6)19-21-53(80-48)20-18-30(4)42(79-53)17-13-29(3)35(9)61-77-27-44(68)59-22-23-60-50(70)37-15-14-36(24-43(37)75-10)54(62-63-54)55(56,57)58/h14-15,24,28-33,38,40-42,47-49,64,66-67H,12-13,16-23,25-27H2,1-11H3,(H,59,68)(H,60,70)(H,71,72)(H,73,74)/b46-34-,61-35-/t29-,30+,31+,32-,33-,38-,40+,41+,42-,47+,48-,49-,53+/m0/s1
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49.7n/an/an/an/an/an/an/an/a



Nagoya University

Curated by ChEMBL


Assay Description
Inhibition of PP1gamma by firefly bioluminescence assay


Bioorg Med Chem 16: 1747-55 (2008)


Article DOI: 10.1016/j.bmc.2007.11.034
BindingDB Entry DOI: 10.7270/Q2SJ1MHT
More data for this
Ligand-Target Pair