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Compile Data Set for Download or QSAR

Found 13 hits of ph data with Target = 'Plasminogen activator inhibitor-1'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92479
PNG
(Tannic Acid, A)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2
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PubMed
n/an/a 7n/an/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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PubMed
n/an/a 91n/an/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92480
PNG
(Epigallocatechin-3,5-Digallate, C)
Show SMILES Oc1cc(OC(=O)c2cc(O)c(O)c(O)c2)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1
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n/an/a 330n/an/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM31712
PNG
(HEXACHLOROPHENE | MLS000028433 | SMR000058356 | ci...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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PubMed
n/an/a 3.80E+3n/an/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50041419
PNG
(1,2,5,8-tetrahydroxy-9,10-anthracenedione | 1,2,5,...)
Show SMILES Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
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PubMed
n/an/a 4.40E+3n/an/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50085536
PNG
(3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...)
Show SMILES OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
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PubMed
n/an/a 6.60E+3n/an/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92486
PNG
(CDE-082 | US9120744, CDE-082)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCC(COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C24H20O15/c25-13-1-9(2-14(26)19(13)31)22(34)37-7-12(39-24(36)11-5-17(29)21(33)18(30)6-11)8-38-23(35)10-3-15(27)20(32)16(28)4-10/h1-6,12,25-33H,7-8H2
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n/an/an/a 5.30n/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92482
PNG
(CDE-008 | US9120744, CDE-008)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCOC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O10/c17-9-3-7(4-10(18)13(9)21)15(23)25-1-2-26-16(24)8-5-11(19)14(22)12(20)6-8/h3-6,17-22H,1-2H2
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n/an/an/a 23n/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92487
PNG
(CDE-031 | US9120744, CDE-031)
Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1CCCC[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H20O10/c21-11-5-9(6-12(22)17(11)25)19(27)29-15-3-1-2-4-16(15)30-20(28)10-7-13(23)18(26)14(24)8-10/h5-8,15-16,21-26H,1-4H2/t15-,16+
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n/an/an/a 31n/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92483
PNG
(CDE-034 | US9120744, CDE-034)
Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1CCCC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H20O10/c21-11-5-9(6-12(22)17(11)25)19(27)29-15-3-1-2-4-16(15)30-20(28)10-7-13(23)18(26)14(24)8-10/h5-8,15-16,21-26H,1-4H2/t15-,16-/m1/s1
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n/an/an/a 67n/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92484
PNG
(CDE-056 | US9120744, CDE-056)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1ccccc1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H14O10/c21-11-5-9(6-12(22)17(11)25)19(27)29-15-3-1-2-4-16(15)30-20(28)10-7-13(23)18(26)14(24)8-10/h1-8,21-26H
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n/an/an/a 51n/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92485
PNG
(CDE-066 | US9120744, CDE-066)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33+,34+,35-,41?/m1/s1
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n/an/an/a 3.10n/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM92481
PNG
(Sennoside A, G)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc3[C@@H]([C@@H]4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c5c(O)cc(cc45)C(O)=O)c4cc(cc(O)c4C(=O)c23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
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n/an/a 5.10E+4n/an/an/an/a7.823



University of Michigan



Assay Description
Enzyme activity assay using human and murine PAI-1.


J Biol Chem 285: 7892-902 (2010)


Article DOI: 10.1074/jbc.M109.067967
BindingDB Entry DOI: 10.7270/Q2ZC81FC
More data for this
Ligand-Target Pair