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Compile Data Set for Download or QSAR

Found 360 hits of ic50 for UniProtKB: P05121   
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
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM92479
PNG
(Tannic Acid, A | Tannic acid)
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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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))		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 |r,w:15.16|
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/a 10n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50132862
PNG
(4-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-10-4-16(3)12-23(20)33-14-24(28)26-21-13-19(9-11-22(21)27(31)32)34-18-7-5-17(6-8-18)25(29)30/h5-9,11,13,15-16,20,23H,4,10,12,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined using plasma clot lysis assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50132855
PNG
(1-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(ccc1[N+]([O-])=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H35N3O6/c1-15(2)19-6-4-16(3)12-22(19)33-14-23(28)25-20-13-18(5-7-21(20)27(31)32)26-10-8-17(9-11-26)24(29)30/h5,7,13,15-17,19,22H,4,6,8-12,14H2,1-3H3,(H,25,28)(H,29,30)/t16-,19+,22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined using plasma clot lysis assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM175525
PNG
(US9120744, CDE-001 (or 073))
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 |r,w:15.16|
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/a 10n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM175528
PNG
(US9120744, CDE-004)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](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 |r|
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/a 10n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM175526
PNG
(US9120744, CDE-002)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](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 |r|
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/a 10n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM175527
PNG
(US9120744, CDE-003)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@H](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 |r|
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/a 10n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127745
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4-phenylsulfa...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Sc4ccccc4)cc3)c(OCc3ccc(Sc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S3/c49-35-15-17-36(18-16-35)55-47-42-27-43(53-30-32-11-19-39(20-12-32)56-37-7-3-1-4-8-37)44(54-31-33-13-21-40(22-14-33)57-38-9-5-2-6-10-38)29-45(42)58-46(47)28-41(48(51)52)34-23-25-50-26-24-34/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 39n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM175544
PNG
(US9120744, CDE-058)
Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@H]1CCC[C@H](C1)OC(=O)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C20H20O10/c21-13-4-9(5-14(22)17(13)25)19(27)29-11-2-1-3-12(8-11)30-20(28)10-6-15(23)18(26)16(24)7-10/h4-7,11-12,21-26H,1-3,8H2/t11-,12+
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n/an/a 50n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM175546
PNG
(US9120744, CDE-061)
Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@H]1CC[C@H](CC1)OC(=O)c1cc(O)c(O)c(O)c1 |r,wU:15.19,12.12,(6.67,-5.39,;6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,;8,-1.54,;9.34,-.77,;8,-3.08,;9.34,-3.85,;4,-.77,;4,.77,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-9.34,.77,;-8,3.08,;-9.34,3.85,;-6.67,3.85,;-6.67,5.39,;-5.33,3.08,)|
Show InChI InChI=1S/C20H20O10/c21-13-5-9(6-14(22)17(13)25)19(27)29-11-1-2-12(4-3-11)30-20(28)10-7-15(23)18(26)16(24)8-10/h5-8,11-12,21-26H,1-4H2/t11-,12+
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n/an/a 50n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM175558
PNG
(US9120744, CDE-075)
Show SMILES CC(C)(C)OC(=O)NCC(COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H25NO12/c1-22(2,3)35-21(32)23-8-12(34-20(31)11-6-15(26)18(29)16(27)7-11)9-33-19(30)10-4-13(24)17(28)14(25)5-10/h4-7,12,24-29H,8-9H2,1-3H3,(H,23,32)
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n/an/a 70n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM175548
PNG
(US9120744, CDE-059)
Show SMILES Oc1ccc(cc1O)S(=O)(=O)NNS(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O8S2/c15-9-3-1-7(5-11(9)17)23(19,20)13-14-24(21,22)8-2-4-10(16)12(18)6-8/h1-6,13-18H
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n/an/a 90n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
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 |r|
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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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))		BDBM50132853
PNG
(3-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2cccc(c2)C(O)=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-9-7-16(3)11-23(20)33-14-24(28)26-21-13-19(8-10-22(21)27(31)32)34-18-6-4-5-17(12-18)25(29)30/h4-6,8,10,12-13,15-16,20,23H,7,9,11,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined by inhibition of Urokinase-type plasminogen activator using primary assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50132856
PNG
(3-Hydroxy-4-[(4-{[2-((1R,2S,5R)-2-isopropyl-5-meth...)
Show SMILES COc1cc(C(O)=O)c2Oc3c(CNc4ccc(CNC(=O)CO[C@@H]5C[C@H](C)CC[C@H]5C(C)C)cc4)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C37H44N2O9/c1-19(2)25-12-7-20(3)13-30(25)46-18-31(41)39-16-23-8-10-24(11-9-23)38-17-27-28(40)14-21(4)32-34(27)47-35-26(36(42)43)15-29(45-6)22(5)33(35)48-37(32)44/h8-11,14-15,19-20,25,30,38,40H,7,12-13,16-18H2,1-6H3,(H,39,41)(H,42,43)/t20-,25+,30-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined using plasma clot lysis assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127733
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-phenoxy-be...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccccc1)\c1ccncc1
Show InChI InChI=1S/C48H35NO5S/c50-48(51)41(39-24-26-49-27-25-39)29-46-47(54-40-14-8-3-9-15-40)42-28-43(52-31-33-16-20-37(21-17-33)35-10-4-1-5-11-35)44(30-45(42)55-46)53-32-34-18-22-38(23-19-34)36-12-6-2-7-13-36/h1-30H,31-32H2,(H,50,51)/b41-29+
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n/an/a 100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127735
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4-phenoxy-ben...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Oc4ccccc4)cc3)c(OCc3ccc(Oc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO7S/c49-35-15-21-40(22-16-35)57-47-42-27-43(53-30-32-11-17-38(18-12-32)55-36-7-3-1-4-8-36)44(54-31-33-13-19-39(20-14-33)56-37-9-5-2-6-10-37)29-45(42)58-46(47)28-41(48(51)52)34-23-25-50-26-24-34/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127743
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(4-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S/c49-39-19-21-40(22-20-39)55-47-42-27-43(53-30-32-11-15-36(16-12-32)34-7-3-1-4-8-34)44(54-31-33-13-17-37(18-14-33)35-9-5-2-6-10-35)29-45(42)56-46(47)28-41(48(51)52)38-23-25-50-26-24-38/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 130n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127732
PNG
((E)-3-[3-(4-Chloro-phenoxy)-5,6-bis-(4'-methoxy-bi...)
Show SMILES COc1ccc(cc1)-c1ccc(COc2cc3sc(\C=C(\C(O)=O)c4ccncc4)c(Oc4ccc(Cl)cc4)c3cc2OCc2ccc(cc2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C50H38ClNO7S/c1-55-40-17-11-36(12-18-40)34-7-3-32(4-8-34)30-57-45-27-44-47(29-46(45)58-31-33-5-9-35(10-6-33)37-13-19-41(56-2)20-14-37)60-48(49(44)59-42-21-15-39(51)16-22-42)28-43(50(53)54)38-23-25-52-26-24-38/h3-29H,30-31H2,1-2H3,(H,53,54)/b43-28+
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n/an/a 140n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50104502
PNG
(8-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...)
Show SMILES OC(=O)CCCCCCCOc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C31H31N3O6S/c35-28(36)8-4-2-1-3-5-17-40-24-15-11-22(12-16-24)20-26-30(38)33-25(29(37)34-26)19-21-9-13-23(14-10-21)32-31(39)27-7-6-18-41-27/h6-7,9-16,18-20H,1-5,8,17H2,(H,32,39)(H,33,38)(H,34,37)(H,35,36)/b25-19-,26-20-
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n/an/a 200n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasminogen activator inhibitor-1

Bioorg Med Chem Lett 11: 2589-92 (2001)


BindingDB Entry DOI: 10.7270/Q20865TG
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50111316
PNG
(8-[4-(3,6-Dioxo-5-{4-[(thiophene-2-carbonyl)-amino...)
Show SMILES OC(=O)CCCCCCCOc1ccc(\C=c2\[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C31H31N3O6S/c35-28(36)8-4-2-1-3-5-17-40-24-15-11-22(12-16-24)20-26-30(38)33-25(29(37)34-26)19-21-9-13-23(14-10-21)32-31(39)27-7-6-18-41-27/h6-7,9-16,18-20H,1-5,8,17H2,(H,32,39)(H,33,38)(H,34,37)(H,35,36)/b25-19-,26-20+
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n/an/a 200n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by chromogenic assay.

Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127742
PNG
((E)-3-[5,6-Bis-(biphenyl-3-ylmethoxy)-3-(4-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3cccc(c3)-c3ccccc3)c(OCc3cccc(c3)-c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S/c49-39-17-19-40(20-18-39)55-47-42-27-43(53-30-32-9-7-15-37(25-32)34-11-3-1-4-12-34)44(54-31-33-10-8-16-38(26-33)35-13-5-2-6-14-35)29-45(42)56-46(47)28-41(48(51)52)36-21-23-50-24-22-36/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 220n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127726
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(3-fluoro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1cccc(F)c1)\c1ccncc1
Show InChI InChI=1S/C48H34FNO5S/c49-39-12-7-13-40(26-39)55-47-42-27-43(53-30-32-14-18-36(19-15-32)34-8-3-1-4-9-34)44(54-31-33-16-20-37(21-17-33)35-10-5-2-6-11-35)29-45(42)56-46(47)28-41(48(51)52)38-22-24-50-25-23-38/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 240n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50104502
PNG
(8-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...)
Show SMILES OC(=O)CCCCCCCOc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C31H31N3O6S/c35-28(36)8-4-2-1-3-5-17-40-24-15-11-22(12-16-24)20-26-30(38)33-25(29(37)34-26)19-21-9-13-23(14-10-21)32-31(39)27-7-6-18-41-27/h6-7,9-16,18-20H,1-5,8,17H2,(H,32,39)(H,33,38)(H,34,37)(H,35,36)/b25-19-,26-20-
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n/an/a 260n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Tissue plasminogen activator generation in plasmin was evaluated by measuring the ability to inhibit Plasminogen activator inhibitor-1 through fibrin...

Bioorg Med Chem Lett 11: 2589-92 (2001)


BindingDB Entry DOI: 10.7270/Q20865TG
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127730
PNG
((E)-3-[5,6-Bis-(4-benzyl-benzyloxy)-3-(4-chloro-ph...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(Cc4ccccc4)cc3)c(OCc3ccc(Cc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C50H38ClNO5S/c51-41-19-21-42(22-20-41)57-49-44-29-45(55-32-38-15-11-36(12-16-38)27-34-7-3-1-4-8-34)46(56-33-39-17-13-37(14-18-39)28-35-9-5-2-6-10-35)31-47(44)58-48(49)30-43(50(53)54)40-23-25-52-26-24-40/h1-26,29-31H,27-28,32-33H2,(H,53,54)/b43-30+
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n/an/a 270n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
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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US Patent
n/an/a 280n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50310309
PNG
(CHEMBL596879 | N-(3,4-dihydroxyphenylsulfonyl)-N-h...)
Show SMILES CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO8S2/c1-2-3-4-5-10-19(28(24,25)13-6-8-15(20)17(22)11-13)29(26,27)14-7-9-16(21)18(23)12-14/h6-9,11-12,20-23H,2-5,10H2,1H3
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Article
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n/an/a 284n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins

Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50111273
PNG
(6-Benzo[b]thiophen-2-yl-4-hydroxy-2-oxo-1,2-dihydr...)
Show SMILES Oc1c(C(=O)Nc2ccc(OCCCCCCCn3cnnn3)cc2)c(=O)[nH]c2ccc(cc12)-c1cc2ccccc2s1
Show InChI InChI=1S/C32H30N6O4S/c39-30-25-18-22(28-19-21-8-4-5-9-27(21)43-28)10-15-26(25)35-32(41)29(30)31(40)34-23-11-13-24(14-12-23)42-17-7-3-1-2-6-16-38-20-33-36-37-38/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,34,40)(H2,35,39,41)
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n/an/a 290n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by complex assay.

Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50111280
PNG
(1-(4-Chloro-phenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H...)
Show SMILES Clc1ccc(cc1)N1CC(=O)C(C(=O)Nc2ccc(OCCCCCCCn3cnnn3)cc2)C1=O
Show InChI InChI=1S/C25H27ClN6O4/c26-18-6-10-20(11-7-18)32-16-22(33)23(25(32)35)24(34)28-19-8-12-21(13-9-19)36-15-5-3-1-2-4-14-31-17-27-29-30-31/h6-13,17,23H,1-5,14-16H2,(H,28,34)
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n/an/a 300n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by complex assay.

Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50116764
PNG
(3-[1-Pyridin-2-yl-meth-(Z)-ylidene]-6-[1-[4-(3-pyr...)
Show SMILES O=c1[nH]\c(=C/c2ccccn2)c(=O)[nH]\c1=C/c1ccc(OCCCc2cccnc2)cc1
Show InChI InChI=1S/C25H22N4O3/c30-24-22(28-25(31)23(29-24)16-20-7-1-2-13-27-20)15-18-8-10-21(11-9-18)32-14-4-6-19-5-3-12-26-17-19/h1-3,5,7-13,15-17H,4,6,14H2,(H,28,31)(H,29,30)/b22-15-,23-16-
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n/an/a 300n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1.

Bioorg Med Chem Lett 12: 2367-70 (2002)


BindingDB Entry DOI: 10.7270/Q2319V6B
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50111298
PNG
(8-{4-[(7-Benzo[b]thiophen-2-yl-4-hydroxy-2-oxo-1,2...)
Show SMILES OC(=O)CCCCCCCOc1ccc(NC(=O)c2c(O)c3ccc(cc3[nH]c2=O)-c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C32H30N2O6S/c35-28(36)10-4-2-1-3-7-17-40-23-14-12-22(13-15-23)33-31(38)29-30(37)24-16-11-21(18-25(24)34-32(29)39)27-19-20-8-5-6-9-26(20)41-27/h5-6,8-9,11-16,18-19H,1-4,7,10,17H2,(H,33,38)(H,35,36)(H2,34,37,39)
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n/an/a 300n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by chromogenic assay.

Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
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))		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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US Patent
n/an/a 370n/an/an/an/a7.823



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50132862
PNG
(4-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-10-4-16(3)12-23(20)33-14-24(28)26-21-13-19(9-11-22(21)27(31)32)34-18-7-5-17(6-8-18)25(29)30/h5-9,11,13,15-16,20,23H,4,10,12,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined using plasma clot lysis assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50132862
PNG
(4-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-10-4-16(3)12-23(20)33-14-24(28)26-21-13-19(9-11-22(21)27(31)32)34-18-7-5-17(6-8-18)25(29)30/h5-9,11,13,15-16,20,23H,4,10,12,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1)

Bioorg Med Chem Lett 14: 761-5 (2004)


BindingDB Entry DOI: 10.7270/Q26T0M23
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50104505
PNG
(9-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...)
Show SMILES OC(=O)CCCCCCCCC(=O)Nc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C33H34N4O6S/c38-29(9-5-3-1-2-4-6-10-30(39)40)34-24-15-11-22(12-16-24)20-26-31(41)37-27(32(42)36-26)21-23-13-17-25(18-14-23)35-33(43)28-8-7-19-44-28/h7-8,11-21H,1-6,9-10H2,(H,34,38)(H,35,43)(H,36,42)(H,37,41)(H,39,40)/b26-20-,27-21-
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n/an/a 390n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasminogen activator inhibitor-1

Bioorg Med Chem Lett 11: 2589-92 (2001)


BindingDB Entry DOI: 10.7270/Q20865TG
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50132853
PNG
(3-{3-[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexy...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2cccc(c2)C(O)=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C25H30N2O7/c1-15(2)20-9-7-16(3)11-23(20)33-14-24(28)26-21-13-19(8-10-22(21)27(31)32)34-18-6-4-5-17(12-18)25(29)30/h4-6,8,10,12-13,15-16,20,23H,7,9,11,14H2,1-3H3,(H,26,28)(H,29,30)/t16-,20+,23-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined by inhibition of Urokinase-type plasminogen activator using primary assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127741
PNG
((E)-3-[5,6-Bis-benzyloxy-3-(4-chloro-phenoxy)-benz...)
Show SMILES COC(=O)C(=C\c1sc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C37H28ClNO5S/c1-41-37(40)30(27-16-18-39-19-17-27)21-35-36(44-29-14-12-28(38)13-15-29)31-20-32(42-23-25-8-4-2-5-9-25)33(22-34(31)45-35)43-24-26-10-6-3-7-11-26/h2-22H,23-24H2,1H3/b30-21+
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n/an/a 470n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127727
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(4-chloro-...)
Show SMILES Cc1cc(Oc2c(\C=C(\C(O)=O)c3ccncc3)sc3cc(OCc4ccc(cc4)-c4ccccc4)c(OCc4ccc(cc4)-c4ccccc4)cc23)ccc1Cl
Show InChI InChI=1S/C49H36ClNO5S/c1-32-26-40(20-21-43(32)50)56-48-42-27-44(54-30-33-12-16-37(17-13-33)35-8-4-2-5-9-35)45(55-31-34-14-18-38(19-15-34)36-10-6-3-7-11-36)29-46(42)57-47(48)28-41(49(52)53)39-22-24-51-25-23-39/h2-29H,30-31H2,1H3,(H,52,53)/b41-28+
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n/an/a 480n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50139534
PNG
(2-[2-Methoxy-6-({3-trifluoromethyl-4-[4-(3-trifluo...)
Show SMILES COc1cccc(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c1Oc1ccc(cc1C(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C33H28F6N4O6/c1-48-29-7-2-4-20(30(29)49-28-11-9-24(43(46)47)18-25(28)31(44)45)19-40-22-8-10-27(26(17-22)33(37,38)39)42-14-12-41(13-15-42)23-6-3-5-21(16-23)32(34,35)36/h2-11,16-18,40H,12-15,19H2,1H3,(H,44,45)
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n/an/a 500n/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human Plasminogen activator inhibitor 1 using HRP substrate after 30 mins by chromogenic assay

Bioorg Med Chem Lett 21: 5701-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.031
BindingDB Entry DOI: 10.7270/Q2B858JV
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50132863
PNG
(2-{2-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cycl...)
Show SMILES COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ncccc1C(O)=O
Show InChI InChI=1S/C33H41N3O6/c1-21(2)26-15-10-22(3)17-29(26)41-20-30(37)36-18-23-11-13-25(14-12-23)35-19-24-7-5-9-28(40-4)31(24)42-32-27(33(38)39)8-6-16-34-32/h5-9,11-14,16,21-22,26,29,35H,10,15,17-20H2,1-4H3,(H,36,37)(H,38,39)/t22-,26+,29-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined by inhibition of Urokinase-type plasminogen activator using primary assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50111292
PNG
(8-{4-[(6-Benzo[b]thiophen-2-yl-4-hydroxy-2-oxo-1,2...)
Show SMILES OC(=O)CCCCCCCOc1ccc(NC(=O)c2c(O)c3cc(ccc3[nH]c2=O)-c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C32H30N2O6S/c35-28(36)10-4-2-1-3-7-17-40-23-14-12-22(13-15-23)33-31(38)29-30(37)24-18-21(11-16-25(24)34-32(29)39)27-19-20-8-5-6-9-26(20)41-27/h5-6,8-9,11-16,18-19H,1-4,7,10,17H2,(H,33,38)(H,35,36)(H2,34,37,39)
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n/an/a 500n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by chromogenic assay.

Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50139534
PNG
(2-[2-Methoxy-6-({3-trifluoromethyl-4-[4-(3-trifluo...)
Show SMILES COc1cccc(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c1Oc1ccc(cc1C(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C33H28F6N4O6/c1-48-29-7-2-4-20(30(29)49-28-11-9-24(43(46)47)18-25(28)31(44)45)19-40-22-8-10-27(26(17-22)33(37,38)39)42-14-12-41(13-15-42)23-6-3-5-21(16-23)32(34,35)36/h2-11,16-18,40H,12-15,19H2,1H3,(H,44,45)
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n/an/a 500n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1)

Bioorg Med Chem Lett 14: 761-5 (2004)


BindingDB Entry DOI: 10.7270/Q26T0M23
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50111309
PNG
(8-{4-[(6-Benzo[b]thiophen-3-yl-4-hydroxy-2-oxo-1,2...)
Show SMILES OC(=O)CCCCCCCOc1ccc(NC(=O)c2c(O)c3cc(ccc3[nH]c2=O)-c2csc3ccccc23)cc1
Show InChI InChI=1S/C32H30N2O6S/c35-28(36)10-4-2-1-3-7-17-40-22-14-12-21(13-15-22)33-31(38)29-30(37)24-18-20(11-16-26(24)34-32(29)39)25-19-41-27-9-6-5-8-23(25)27/h5-6,8-9,11-16,18-19H,1-4,7,10,17H2,(H,33,38)(H,35,36)(H2,34,37,39)
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n/an/a 510n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by chromogenic assay.

Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50111316
PNG
(8-[4-(3,6-Dioxo-5-{4-[(thiophene-2-carbonyl)-amino...)
Show SMILES OC(=O)CCCCCCCOc1ccc(\C=c2\[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C31H31N3O6S/c35-28(36)8-4-2-1-3-5-17-40-24-15-11-22(12-16-24)20-26-30(38)33-25(29(37)34-26)19-21-9-13-23(14-10-21)32-31(39)27-7-6-18-41-27/h6-7,9-16,18-20H,1-5,8,17H2,(H,32,39)(H,33,38)(H,34,37)(H,35,36)/b25-19-,26-20+
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n/an/a 510n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasminogen activator inhibitor-1(PAI-1) evaluated by complex assay.

Bioorg Med Chem Lett 12: 1063-6 (2002)


BindingDB Entry DOI: 10.7270/Q2W958HQ
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50104502
PNG
(8-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...)
Show SMILES OC(=O)CCCCCCCOc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C31H31N3O6S/c35-28(36)8-4-2-1-3-5-17-40-24-15-11-22(12-16-24)20-26-30(38)33-25(29(37)34-26)19-21-9-13-23(14-10-21)32-31(39)27-7-6-18-41-27/h6-7,9-16,18-20H,1-5,8,17H2,(H,32,39)(H,33,38)(H,34,37)(H,35,36)/b25-19-,26-20-
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n/an/a 510n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Tissue plasminogen activator generation in plasmin was evaluated by measuring the ability to inhibit Plasminogen activator inhibitor-1 through comple...

Bioorg Med Chem Lett 11: 2589-92 (2001)


BindingDB Entry DOI: 10.7270/Q20865TG
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50104511
PNG
(7-{4-[3,6-Dioxo-5-[1-{4-[(thiophene-2-carbonyl)-am...)
Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)cc1
Show InChI InChI=1S/C31H30N4O6S/c36-27(7-3-1-2-4-8-28(37)38)32-22-13-9-20(10-14-22)18-24-29(39)35-25(30(40)34-24)19-21-11-15-23(16-12-21)33-31(41)26-6-5-17-42-26/h5-6,9-19H,1-4,7-8H2,(H,32,36)(H,33,41)(H,34,40)(H,35,39)(H,37,38)/b24-18-,25-19-
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n/an/a 520n/an/an/an/an/an/a



Xenova Limited

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Plasminogen activator inhibitor-1

Bioorg Med Chem Lett 11: 2589-92 (2001)


BindingDB Entry DOI: 10.7270/Q20865TG
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50132874
PNG
(3-Hydroxy-4-({6-[2-((1R,2S,5R)-2-isopropyl-5-methy...)
Show SMILES COc1cc(C(O)=O)c2Oc3c(CNc4ccc(NC(=O)CO[C@@H]5C[C@H](C)CC[C@H]5C(C)C)nc4)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C35H41N3O9/c1-17(2)22-9-7-18(3)11-27(22)45-16-29(40)38-28-10-8-21(14-37-28)36-15-24-25(39)12-19(4)30-32(24)46-33-23(34(41)42)13-26(44-6)20(5)31(33)47-35(30)43/h8,10,12-14,17-18,22,27,36,39H,7,9,11,15-16H2,1-6H3,(H,41,42)(H,37,38,40)/t18-,22+,27-/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined by inhibition of Urokinase-type plasminogen activator using primary assay

Bioorg Med Chem Lett 13: 3361-5 (2003)


BindingDB Entry DOI: 10.7270/Q28W3CQ5
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127739
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(3,4-diflu...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(F)c(F)c1)\c1ccncc1
Show InChI InChI=1S/C48H33F2NO5S/c49-41-20-19-38(25-42(41)50)56-47-40-26-43(54-29-31-11-15-35(16-12-31)33-7-3-1-4-8-33)44(55-30-32-13-17-36(18-14-32)34-9-5-2-6-10-34)28-45(40)57-46(47)27-39(48(52)53)37-21-23-51-24-22-37/h1-28H,29-30H2,(H,52,53)/b39-27+
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n/an/a 590n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex forma...

Bioorg Med Chem Lett 13: 1705-8 (2003)


BindingDB Entry DOI: 10.7270/Q2J965SB
More data for this
Ligand-Target Pair
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