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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'cupp' and Initial = 'ja'   
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))		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))		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))		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))		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))		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))		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))		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))		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))		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/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))		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/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))		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/a 1.17E+3n/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))		BDBM175552
PNG
(US9120744, CDE-074)
Show SMILES Oc1ccc(cc1O)S(=O)(=O)N1CCCCN1S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H18N2O8S2/c19-13-5-3-11(9-15(13)21)27(23,24)17-7-1-2-8-18(17)28(25,26)12-4-6-14(20)16(22)10-12/h3-6,9-10,19-22H,1-2,7-8H2
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n/an/a 1.71E+3n/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))		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/a 2.96E+3n/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))		BDBM175534
PNG
(US9120744, CDE-013)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCCOC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C17H16O10/c18-10-4-8(5-11(19)14(10)22)16(24)26-2-1-3-27-17(25)9-6-12(20)15(23)13(21)7-9/h4-7,18-23H,1-3H2
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n/an/a 7.85E+3n/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))		BDBM50310301
PNG
(CHEMBL599742 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-3...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H24N2O8S2/c1-3-19(29(25,26)13-5-7-15(21)17(23)11-13)9-10-20(4-2)30(27,28)14-6-8-16(22)18(24)12-14/h5-8,11-12,21-24H,3-4,9-10H2,1-2H3
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n/an/a 1.02E+4n/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))		BDBM175542
PNG
(US9120744, CDE-055)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N1CCN(CC1)C(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18N2O8/c21-11-5-9(6-12(22)15(11)25)17(27)19-1-2-20(4-3-19)18(28)10-7-13(23)16(26)14(24)8-10/h5-8,21-26H,1-4H2
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n/an/a 2.75E+4n/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))		BDBM175537
PNG
(US9120744, CDE-051)
Show SMILES Oc1ccc(C(=O)OCCOC(=O)c2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-9-1-3-11(13(19)7-9)15(21)23-5-6-24-16(22)12-4-2-10(18)8-14(12)20/h1-4,7-8,17-20H,5-6H2
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n/an/a 2.87E+4n/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))		BDBM175549
PNG
(US9120744, CDE-068)
Show SMILES CN(N(C)S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H16N2O8S2/c1-15(25(21,22)9-3-5-11(17)13(19)7-9)16(2)26(23,24)10-4-6-12(18)14(20)8-10/h3-8,17-20H,1-2H3
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n/an/a 3.27E+4n/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))		BDBM175553
PNG
(US9120744, CDE-041)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Oc1cccc(c1)C(=O)OCCOC(=O)c1cccc(OC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C30H22O14/c31-21-11-17(12-22(32)25(21)35)29(39)43-19-5-1-3-15(9-19)27(37)41-7-8-42-28(38)16-4-2-6-20(10-16)44-30(40)18-13-23(33)26(36)24(34)14-18/h1-6,9-14,31-36H,7-8H2
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n/an/a 4.79E+4n/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))		BDBM175557
PNG
(US9120744, CDE-067)
Show SMILES CC(C)(COC(=O)c1cc(O)c(O)c(O)c1)COC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C19H20O10/c1-19(2,7-28-17(26)9-3-11(20)15(24)12(21)4-9)8-29-18(27)10-5-13(22)16(25)14(23)6-10/h3-6,20-25H,7-8H2,1-2H3
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n/an/a 4.83E+4n/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))		BDBM175531
PNG
(US9120744, CDE-009)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCOCCOC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O11/c19-11-5-9(6-12(20)15(11)23)17(25)28-3-1-27-2-4-29-18(26)10-7-13(21)16(24)14(22)8-10/h5-8,19-24H,1-4H2
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n/an/a 4.93E+4n/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))		BDBM175551
PNG
(US9120744, CDE-072)
Show SMILES Oc1ccc(cc1)S(=O)(=O)NNS(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C12H12N2O6S2/c15-9-1-5-11(6-2-9)21(17,18)13-14-22(19,20)12-7-3-10(16)4-8-12/h1-8,13-16H
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n/an/a 1.04E+5n/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))		BDBM175554
PNG
(US9120744, CDE-035)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|
Show InChI InChI=1S/C23H26N4O11/c1-23(2,3)38-22(33)25-14(8-12-4-6-18(28)16(10-12)26(34)35)20(30)24-15(21(31)32)9-13-5-7-19(29)17(11-13)27(36)37/h4-7,10-11,14-15,28-29H,8-9H2,1-3H3,(H,24,30)(H,25,33)(H,31,32)/t14-,15-/m0/s1
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n/an/a 1.46E+5n/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))		BDBM175545
PNG
(US9120744, CDE-057)
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-/m1/s1
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n/an/a 1.95E+5n/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))		BDBM175532
PNG
(US9120744, CDE-012)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCOCCOCCOC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H22O12/c21-13-7-11(8-14(22)17(13)25)19(27)31-5-3-29-1-2-30-4-6-32-20(28)12-9-15(23)18(26)16(24)10-12/h7-10,21-26H,1-6H2
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n/an/a 1.96E+5n/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))		BDBM175538
PNG
(US9120744, CDE-060)
Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)NCCNC(=O)c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H14N4O8/c21-13-3-1-9(7-11(13)19(25)26)15(23)17-5-6-18-16(24)10-2-4-14(22)12(8-10)20(27)28/h1-4,7-8,21-22H,5-6H2,(H,17,23)(H,18,24)
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n/an/a 2.36E+5n/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))		BDBM175561
PNG
(US9120744, CDE-033)
Show SMILES CCOC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C25H30N4O11/c1-5-39-23(33)17(11-15-7-9-21(31)19(13-15)29(37)38)26-22(32)16(27-24(34)40-25(2,3)4)10-14-6-8-20(30)18(12-14)28(35)36/h6-9,12-13,16-17,30-31H,5,10-11H2,1-4H3,(H,26,32)(H,27,34)/t16-,17-/m0/s1
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n/an/a 2.46E+5n/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))		BDBM50058812
PNG
(CHEMBL302625 | N,N'-1,3-Propanediylbis(3,4,5-trihy...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)NCCCNC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C17H18N2O8/c20-10-4-8(5-11(21)14(10)24)16(26)18-2-1-3-19-17(27)9-6-12(22)15(25)13(23)7-9/h4-7,20-25H,1-3H2,(H,18,26)(H,19,27)
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n/an/a 2.69E+5n/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))		BDBM175547
PNG
(US9120744, CDE-062)
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,wD: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,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-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 3.32E+5n/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))		BDBM175533
PNG
(US9120744, CDE-011)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCOCCOCCOCCOC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H26O13/c23-15-9-13(10-16(24)19(15)27)21(29)34-7-5-32-3-1-31-2-4-33-6-8-35-22(30)14-11-17(25)20(28)18(26)12-14/h9-12,23-28H,1-8H2
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n/an/a 3.38E+5n/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))		BDBM175535
PNG
(US9120744, CDE-028)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |r|
Show InChI InChI=1S/C14H18N2O7/c1-14(2,3)23-13(20)15-9(12(18)19)6-8-4-5-11(17)10(7-8)16(21)22/h4-5,7,9,17H,6H2,1-3H3,(H,15,20)(H,18,19)/t9-/m0/s1
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n/an/a 3.86E+5n/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))		BDBM175543
PNG
(US9120744, CDE-065)
Show SMILES COc1cc(cc(OC)c1O)C(=O)N1CCN(CC1)C(=O)c1cc(OC)c(O)c(OC)c1
Show InChI InChI=1S/C22H26N2O8/c1-29-15-9-13(10-16(30-2)19(15)25)21(27)23-5-7-24(8-6-23)22(28)14-11-17(31-3)20(26)18(12-14)32-4/h9-12,25-26H,5-8H2,1-4H3
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n/an/a 4.23E+5n/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))		BDBM50310300
PNG
(CHEMBL606451 | N,N'-(ethane-1,2-diyl)bis(3,4-dihyd...)
Show SMILES Oc1ccc(cc1O)S(=O)(=O)NCCNS(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H16N2O8S2/c17-11-3-1-9(7-13(11)19)25(21,22)15-5-6-16-26(23,24)10-2-4-12(18)14(20)8-10/h1-4,7-8,15-20H,5-6H2
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n/an/a 4.50E+5n/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))		BDBM175540
PNG
(US9120744, CDE-069)
Show SMILES COc1cc(cc(OC)c1O)C(=O)OCCOC(=O)c1cc(OC)c(O)c(OC)c1
Show InChI InChI=1S/C20H22O10/c1-25-13-7-11(8-14(26-2)17(13)21)19(23)29-5-6-30-20(24)12-9-15(27-3)18(22)16(10-12)28-4/h7-10,21-22H,5-6H2,1-4H3
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n/an/a 5.62E+5n/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))		BDBM50058816
PNG
(CHEMBL292067 | N,N'-1,2-Ethanediylbis(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H16N2O8/c19-9-3-7(4-10(20)13(9)23)15(25)17-1-2-18-16(26)8-5-11(21)14(24)12(22)6-8/h3-6,19-24H,1-2H2,(H,17,25)(H,18,26)
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n/an/a 9.00E+5n/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))		BDBM175539
PNG
(US9120744, CDE-064)
Show SMILES COc1cc(cc(OC)c1O)C(=O)N(C)CCN(C)C(=O)c1cc(OC)c(O)c(OC)c1
Show InChI InChI=1S/C22H28N2O8/c1-23(21(27)13-9-15(29-3)19(25)16(10-13)30-4)7-8-24(2)22(28)14-11-17(31-5)20(26)18(12-14)32-6/h9-12,25-26H,7-8H2,1-6H3
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n/an/a 2.20E+6n/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))		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/an/a 3.10n/an/an/a5.023



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To establish binding constants for the compounds/drugs to PAI-1, an indirect approach using surface plasmon resonance (SPR) was employed. Varying con...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
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/a5.023



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To establish binding constants for the compounds/drugs to PAI-1, an indirect approach using surface plasmon resonance (SPR) was employed. Varying con...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
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/a5.023



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To establish binding constants for the compounds/drugs to PAI-1, an indirect approach using surface plasmon resonance (SPR) was employed. Varying con...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
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/a5.023



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To establish binding constants for the compounds/drugs to PAI-1, an indirect approach using surface plasmon resonance (SPR) was employed. Varying con...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair
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/a5.023



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To establish binding constants for the compounds/drugs to PAI-1, an indirect approach using surface plasmon resonance (SPR) was employed. Varying con...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
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/a5.023



THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY

US Patent


Assay Description
To establish binding constants for the compounds/drugs to PAI-1, an indirect approach using surface plasmon resonance (SPR) was employed. Varying con...

US Patent US9120744 (2015)


BindingDB Entry DOI: 10.7270/Q2QF8RN8
More data for this
Ligand-Target Pair