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PubMed code 12729646

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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))		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))		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))		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))		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))		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))		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
Plasminogen activator inhibitor 1


(Homo sapiens (Human))		BDBM50127747
PNG
((E)-3-[5,6-Bis-(4-benzenesulfonyl-benzyloxy)-3-(4-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)S(=O)(=O)c3ccccc3)c(OCc3ccc(cc3)S(=O)(=O)c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO9S3/c49-35-15-17-36(18-16-35)59-47-42-27-43(57-30-32-11-19-39(20-12-32)61(53,54)37-7-3-1-4-8-37)44(29-45(42)60-46(47)28-41(48(51)52)34-23-25-50-26-24-34)58-31-33-13-21-40(22-14-33)62(55,56)38-9-5-2-6-10-38/h1-29H,30-31H2,(H,51,52)/b41-28+
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n/an/a 770n/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))		BDBM50127749
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)cc(C)c1Cl
Show InChI InChI=1S/C50H38ClNO5S/c1-32-25-41(26-33(2)48(32)51)57-49-43-27-44(55-30-34-13-17-38(18-14-34)36-9-5-3-6-10-36)45(56-31-35-15-19-39(20-16-35)37-11-7-4-8-12-37)29-46(43)58-47(49)28-42(50(53)54)40-21-23-52-24-22-40/h3-29H,30-31H2,1-2H3,(H,53,54)/b42-28+
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n/an/a 1.09E+3n/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))		BDBM50127746
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(6-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(Cl)nc1)\c1ccncc1
Show InChI InChI=1S/C47H33ClN2O5S/c48-45-20-19-38(28-50-45)55-46-40-25-41(53-29-31-11-15-35(16-12-31)33-7-3-1-4-8-33)42(54-30-32-13-17-36(18-14-32)34-9-5-2-6-10-34)27-43(40)56-44(46)26-39(47(51)52)37-21-23-49-24-22-37/h1-28H,29-30H2,(H,51,52)/b39-26+
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n/an/a 2.07E+3n/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))		BDBM50127736
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)c(F)c1)\c1ccncc1
Show InChI InChI=1S/C48H33ClFNO5S/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 2.28E+3n/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))		BDBM50127740
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(pyridin-3...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1cccnc1)\c1ccncc1
Show InChI InChI=1S/C47H34N2O5S/c50-47(51)40(38-21-24-48-25-22-38)27-45-46(54-39-12-7-23-49-29-39)41-26-42(52-30-32-13-17-36(18-14-32)34-8-3-1-4-9-34)43(28-44(41)55-45)53-31-33-15-19-37(20-16-33)35-10-5-2-6-11-35/h1-29H,30-31H2,(H,50,51)/b40-27+
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n/an/a 2.40E+3n/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))		BDBM50127737
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(6-methyl-...)
Show SMILES Cc1ccc(Oc2c(\C=C(\C(O)=O)c3ccncc3)sc3cc(OCc4ccc(cc4)-c4ccccc4)c(OCc4ccc(cc4)-c4ccccc4)cc23)cn1
Show InChI InChI=1S/C48H36N2O5S/c1-32-12-21-40(29-50-32)55-47-42-26-43(53-30-33-13-17-37(18-14-33)35-8-4-2-5-9-35)44(54-31-34-15-19-38(20-16-34)36-10-6-3-7-11-36)28-45(42)56-46(47)27-41(48(51)52)39-22-24-49-25-23-39/h2-29H,30-31H2,1H3,(H,51,52)/b41-27+
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n/an/a 2.48E+3n/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))		BDBM50127738
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(4-imidazo...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(cc1)-n1ccnc1)\c1ccncc1
Show InChI InChI=1S/C51H37N3O5S/c55-51(56)44(41-23-25-52-26-24-41)30-49-50(59-43-21-19-42(20-22-43)54-28-27-53-34-54)45-29-46(57-32-35-11-15-39(16-12-35)37-7-3-1-4-8-37)47(31-48(45)60-49)58-33-36-13-17-40(18-14-36)38-9-5-2-6-10-38/h1-31,34H,32-33H2,(H,55,56)/b44-30+
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n/an/a 2.91E+3n/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))		BDBM50127728
PNG
((E)-3-[5,6-Bis-(biphenyl-4-ylmethoxy)-3-(quinolin-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc2ncccc2c1)\c1ccncc1
Show InChI InChI=1S/C51H36N2O5S/c54-51(55)43(40-23-26-52-27-24-40)30-49-50(58-42-21-22-45-41(28-42)12-7-25-53-45)44-29-46(56-32-34-13-17-38(18-14-34)36-8-3-1-4-9-36)47(31-48(44)59-49)57-33-35-15-19-39(20-16-35)37-10-5-2-6-11-37/h1-31H,32-33H2,(H,54,55)/b43-30+
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n/an/a 6.06E+3n/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))		BDBM50127744
PNG
((E)-3-{5,6-Bis-(biphenyl-4-ylmethoxy)-3-[4-(pyridi...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccc(cc3)-c3ccccc3)c(OCc3ccc(cc3)-c3ccccc3)cc2c1Oc1ccc(Oc2ccncc2)cc1)\c1ccncc1
Show InChI InChI=1S/C53H38N2O6S/c56-53(57)46(42-23-27-54-28-24-42)32-51-52(61-44-21-19-43(20-22-44)60-45-25-29-55-30-26-45)47-31-48(58-34-36-11-15-40(16-12-36)38-7-3-1-4-8-38)49(33-50(47)62-51)59-35-37-13-17-41(18-14-37)39-9-5-2-6-10-39/h1-33H,34-35H2,(H,56,57)/b46-32+
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n/an/a 1.07E+4n/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))		BDBM50127734
PNG
((E)-3-[5,6-Bis-(biphenyl-2-ylmethoxy)-3-(4-chloro-...)
Show SMILES OC(=O)C(=C\c1sc2cc(OCc3ccccc3-c3ccccc3)c(OCc3ccccc3-c3ccccc3)cc2c1Oc1ccc(Cl)cc1)\c1ccncc1
Show InChI InChI=1S/C48H34ClNO5S/c49-37-19-21-38(22-20-37)55-47-42-27-43(53-30-35-15-7-9-17-39(35)32-11-3-1-4-12-32)44(54-31-36-16-8-10-18-40(36)33-13-5-2-6-14-33)29-45(42)56-46(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 1.08E+4n/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))		BDBM50127748
PNG
(3-[4-(2-Dimethylamino-ethylsulfanyl)-benzylidene]-...)
Show SMILES CN(C)CCSc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccccc3)[nH]c2=O)cc1
Show InChI InChI=1S/C22H23N3O2S/c1-25(2)12-13-28-18-10-8-17(9-11-18)15-20-22(27)23-19(21(26)24-20)14-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)(H,24,26)/b19-14-,20-15-
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n/an/a 5.10E+4n/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))		BDBM50127731
PNG
(3-(4-Methoxy-benzylidene)-6-[1-phenyl-meth-(Z)-yli...)
Show SMILES COc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccccc3)[nH]c2=O)cc1
Show InChI InChI=1S/C19H16N2O3/c1-24-15-9-7-14(8-10-15)12-17-19(23)20-16(18(22)21-17)11-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,23)(H,21,22)/b16-11-,17-12-
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n/an/a 5.94E+4n/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))		BDBM50104518
PNG
(3-[1-[5-(2-Dimethylamino-ethylsulfanyl)-thiophen-2...)
Show SMILES CN(C)CCSc1ccc(\C=c2/[nH]c(=O)\c(=C\c3ccccc3)[nH]c2=O)s1
Show InChI InChI=1S/C20H21N3O2S2/c1-23(2)10-11-26-18-9-8-15(27-18)13-17-20(25)21-16(19(24)22-17)12-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,25)(H,22,24)/b16-12-,17-13-
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n/an/a 1.06E+5n/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
* indicates data uncertainty>20%