BindingDB logo
myBDB logout

PubMed code 12951126

Compile data set for download or QSAR
Found 39 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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
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))		BDBM50132881
PNG
(2-{2-Carbamoyl-6-[(4-{[2-((1R,2S,5R)-2-isopropyl-5...)
Show SMILES COc1cc(C(O)=O)c(Oc2c(CNc3ccc(CNC(=O)CO[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3)ccc(C)c2C(N)=O)c(O)c1C
Show InChI InChI=1S/C37H47N3O8/c1-20(2)27-14-7-21(3)15-30(27)47-19-31(41)40-17-24-9-12-26(13-10-24)39-18-25-11-8-22(4)32(36(38)43)34(25)48-35-28(37(44)45)16-29(46-6)23(5)33(35)42/h8-13,16,20-21,27,30,39,42H,7,14-15,17-19H2,1-6H3,(H2,38,43)(H,40,41)(H,44,45)/t21-,27+,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 600n/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))		BDBM50132871
PNG
(5-Amino-2-{2-[(4-{[2-((1R,2S,5R)-2-isopropyl-5-met...)
Show SMILES COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ccc(N)cc1C(O)=O
Show InChI InChI=1S/C34H43N3O6/c1-21(2)27-14-8-22(3)16-31(27)42-20-32(38)37-18-23-9-12-26(13-10-23)36-19-24-6-5-7-30(41-4)33(24)43-29-15-11-25(35)17-28(29)34(39)40/h5-7,9-13,15,17,21-22,27,31,36H,8,14,16,18-20,35H2,1-4H3,(H,37,38)(H,39,40)/t22-,27+,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 700n/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))		BDBM50132876
PNG
(2-{2-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cycl...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2cc(ccc2Oc2ccccc2C(O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C33H39N3O7/c1-21(2)27-14-8-22(3)16-31(27)42-20-32(37)35-18-23-9-11-25(12-10-23)34-19-24-17-26(36(40)41)13-15-29(24)43-30-7-5-4-6-28(30)33(38)39/h4-7,9-13,15,17,21-22,27,31,34H,8,14,16,18-20H2,1-3H3,(H,35,37)(H,38,39)/t22-,27+,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 710n/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))		BDBM50132860
PNG
(2-{3-Fluoro-2-[(4-{[2-((1R,2S,5R)-2-isopropyl-5-me...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2c(F)cccc2Oc2c(O)cccc2C(O)=O)cc1
Show InChI InChI=1S/C33H39FN2O6/c1-20(2)24-15-10-21(3)16-30(24)41-19-31(38)36-17-22-11-13-23(14-12-22)35-18-26-27(34)7-5-9-29(26)42-32-25(33(39)40)6-4-8-28(32)37/h4-9,11-14,20-21,24,30,35,37H,10,15-19H2,1-3H3,(H,36,38)(H,39,40)/t21-,24+,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 710n/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))		BDBM50132870
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)N1CCCC(C1)C(O)=O
Show InChI InChI=1S/C24H35N3O6/c1-15(2)19-8-6-16(3)11-22(19)33-14-23(28)25-20-12-18(7-9-21(20)27(31)32)26-10-4-5-17(13-26)24(29)30/h7,9,12,15-17,19,22H,4-6,8,10-11,13-14H2,1-3H3,(H,25,28)(H,29,30)/t16-,17?,19+,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 890n/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))		BDBM50132858
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(N[C@H]2CC[C@H](CC2)C(O)=O)ccc1[N+]([O-])=O |wU:9.10,22.26,19.19,6.6,wD:3.2,(8.21,-9.74,;6.7,-10.09,;6.25,-11.57,;5.66,-8.97,;4.17,-9.3,;3.11,-8.17,;3.56,-6.7,;2.5,-5.55,;5.05,-6.37,;6.12,-7.5,;7.63,-7.15,;8.08,-5.67,;9.59,-5.34,;10.63,-6.47,;10.05,-3.87,;11.58,-3.63,;12.53,-4.85,;14.06,-4.62,;15.01,-5.83,;14.44,-7.26,;15.41,-8.46,;14.84,-9.91,;13.29,-10.12,;12.36,-8.9,;12.92,-7.47,;12.34,-11.36,;10.81,-11.15,;12.92,-12.78,;14.63,-3.19,;13.65,-1.97,;12.13,-2.21,;11.16,-.99,;11.72,.44,;9.64,-1.22,)|
Show InChI InChI=1S/C25H37N3O6/c1-15(2)20-10-4-16(3)12-23(20)34-14-24(29)27-21-13-19(9-11-22(21)28(32)33)26-18-7-5-17(6-8-18)25(30)31/h9,11,13,15-18,20,23,26H,4-8,10,12,14H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18+,20+,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 900n/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))		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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 940n/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))		BDBM50132883
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(N[C@H]2CC[C@@H](CC2)C(O)=O)ccc1[N+]([O-])=O |wU:9.10,19.19,6.6,wD:22.26,3.2,(8.21,-9.74,;6.7,-10.09,;6.25,-11.57,;5.66,-8.97,;4.17,-9.3,;3.11,-8.17,;3.56,-6.7,;2.5,-5.55,;5.05,-6.37,;6.12,-7.5,;7.63,-7.15,;8.08,-5.67,;9.59,-5.34,;10.63,-6.47,;10.05,-3.87,;11.58,-3.63,;12.53,-4.85,;14.06,-4.62,;15.01,-5.83,;14.44,-7.26,;15.41,-8.46,;14.84,-9.91,;13.29,-10.12,;12.36,-8.9,;12.92,-7.47,;12.34,-11.36,;10.81,-11.15,;12.92,-12.78,;14.63,-3.19,;13.65,-1.97,;12.13,-2.21,;11.16,-.99,;11.72,.44,;9.64,-1.22,)|
Show InChI InChI=1S/C25H37N3O6/c1-15(2)20-10-4-16(3)12-23(20)34-14-24(29)27-21-13-19(9-11-22(21)28(32)33)26-18-7-5-17(6-8-18)25(30)31/h9,11,13,15-18,20,23,26H,4-8,10,12,14H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,20+,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+3n/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))		BDBM50132865
PNG
(3-Hydroxy-4-({4-[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)cc4)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C36H42N2O9/c1-18(2)24-12-7-19(3)13-29(24)45-17-30(40)38-23-10-8-22(9-11-23)37-16-26-27(39)14-20(4)31-33(26)46-34-25(35(41)42)15-28(44-6)21(5)32(34)47-36(31)43/h8-11,14-15,18-19,24,29,37,39H,7,12-13,16-17H2,1-6H3,(H,38,40)(H,41,42)/t19-,24+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+3n/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))		BDBM50132875
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)c1Oc1ccc(cc1C(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C34H41N3O8/c1-21(2)27-14-8-22(3)16-31(27)44-20-32(38)36-18-23-9-11-25(12-10-23)35-19-24-6-5-7-30(43-4)33(24)45-29-15-13-26(37(41)42)17-28(29)34(39)40/h5-7,9-13,15,17,21-22,27,31,35H,8,14,16,18-20H2,1-4H3,(H,36,38)(H,39,40)/t22-,27+,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20E+3n/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))		BDBM50132875
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)c1Oc1ccc(cc1C(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C34H41N3O8/c1-21(2)27-14-8-22(3)16-31(27)44-20-32(38)36-18-23-9-11-25(12-10-23)35-19-24-6-5-7-30(43-4)33(24)45-29-15-13-26(37(41)42)17-28(29)34(39)40/h5-7,9-13,15,17,21-22,27,31,35H,8,14,16,18-20H2,1-4H3,(H,36,38)(H,39,40)/t22-,27+,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20E+3n/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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.40E+3n/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))		BDBM50132877
PNG
(2-{3-Fluoro-2-[(4-{[2-((1R,2S,5R)-2-isopropyl-5-me...)
Show SMILES COc1ccc(Oc2cccc(F)c2CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c(c1)C(O)=O
Show InChI InChI=1S/C34H41FN2O6/c1-21(2)26-14-8-22(3)16-32(26)42-20-33(38)37-18-23-9-11-24(12-10-23)36-19-28-29(35)6-5-7-30(28)43-31-15-13-25(41-4)17-27(31)34(39)40/h5-7,9-13,15,17,21-22,26,32,36H,8,14,16,18-20H2,1-4H3,(H,37,38)(H,39,40)/t22-,26+,32-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.40E+3n/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))		BDBM50132869
PNG
(3-Hydroxy-4-[(3-{[2-((1R,2S,5R)-2-isopropyl-5-meth...)
Show SMILES COc1cc(C(O)=O)c2Oc3c(CNc4cccc(CNC(=O)CO[C@@H]5C[C@H](C)CC[C@H]5C(C)C)c4)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C37H44N2O9/c1-19(2)25-11-10-20(3)12-30(25)46-18-31(41)39-16-23-8-7-9-24(14-23)38-17-27-28(40)13-21(4)32-34(27)47-35-26(36(42)43)15-29(45-6)22(5)33(35)48-37(32)44/h7-9,13-15,19-20,25,30,38,40H,10-12,16-18H2,1-6H3,(H,39,41)(H,42,43)/t20-,25+,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.40E+3n/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))		BDBM50132850
PNG
(2-{2-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cycl...)
Show SMILES COc1ccc(Oc2ccccc2CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c(c1)C(O)=O
Show InChI InChI=1S/C34H42N2O6/c1-22(2)28-15-9-23(3)17-32(28)41-21-33(37)36-19-24-10-12-26(13-11-24)35-20-25-7-5-6-8-30(25)42-31-16-14-27(40-4)18-29(31)34(38)39/h5-8,10-14,16,18,22-23,28,32,35H,9,15,17,19-21H2,1-4H3,(H,36,37)(H,38,39)/t23-,28+,32-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.40E+3n/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))		BDBM50132879
PNG
(2-(6-Carboxy-2-hydroxy-4-methoxy-3-methyl-phenoxy)...)
Show SMILES COc1cc(C(O)=O)c(Oc2c(CNc3ccc(CNC(=O)CO[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3)c(O)cc(C)c2C(O)=O)c(O)c1C
Show InChI InChI=1S/C37H46N2O10/c1-19(2)25-12-7-20(3)13-30(25)48-18-31(41)39-16-23-8-10-24(11-9-23)38-17-27-28(40)14-21(4)32(37(45)46)34(27)49-35-26(36(43)44)15-29(47-6)22(5)33(35)42/h8-11,14-15,19-20,25,30,38,40,42H,7,12-13,16-18H2,1-6H3,(H,39,41)(H,43,44)(H,45,46)/t20-,25+,30-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.80E+3n/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))		BDBM50132852
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)N1CCCC1C(O)=O
Show InChI InChI=1S/C23H33N3O6/c1-14(2)17-8-6-15(3)11-21(17)32-13-22(27)24-18-12-16(7-9-19(18)26(30)31)25-10-4-5-20(25)23(28)29/h7,9,12,14-15,17,20-21H,4-6,8,10-11,13H2,1-3H3,(H,24,27)(H,28,29)/t15-,17+,20?,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.20E+3n/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))		BDBM50132851
PNG
(6-{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(cn2)C(O)=O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C24H29N3O7/c1-14(2)18-7-4-15(3)10-21(18)33-13-22(28)26-19-11-17(6-8-20(19)27(31)32)34-23-9-5-16(12-25-23)24(29)30/h5-6,8-9,11-12,14-15,18,21H,4,7,10,13H2,1-3H3,(H,26,28)(H,29,30)/t15-,18+,21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60E+3n/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))		BDBM50132868
PNG
(2-{2-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cycl...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2cc(ccc2Oc2cc(Oc3ccccc3)ccc2C(O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C39H43N3O8/c1-25(2)33-16-9-26(3)19-36(33)48-24-38(43)41-22-27-10-12-29(13-11-27)40-23-28-20-30(42(46)47)14-18-35(28)50-37-21-32(15-17-34(37)39(44)45)49-31-7-5-4-6-8-31/h4-8,10-15,17-18,20-21,25-26,33,36,40H,9,16,19,22-24H2,1-3H3,(H,41,43)(H,44,45)/t26-,33+,36-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.60E+3n/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))		BDBM50132873
PNG
(CHEMBL112156 | N-[4-(2-Hydroxy-5-nitro-benzylamino...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2cc(ccc2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C26H35N3O5/c1-17(2)23-10-4-18(3)12-25(23)34-16-26(31)28-14-19-5-7-21(8-6-19)27-15-20-13-22(29(32)33)9-11-24(20)30/h5-9,11,13,17-18,23,25,27,30H,4,10,12,14-16H2,1-3H3,(H,28,31)/t18-,23+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.70E+3n/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))		BDBM50132867
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)N1CC(C1)C(O)=O
Show InChI InChI=1S/C22H31N3O6/c1-13(2)17-6-4-14(3)8-20(17)31-12-21(26)23-18-9-16(5-7-19(18)25(29)30)24-10-15(11-24)22(27)28/h5,7,9,13-15,17,20H,4,6,8,10-12H2,1-3H3,(H,23,26)(H,27,28)/t14-,17+,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.90E+3n/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))		BDBM50132878
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)N1CCCCC1C(O)=O
Show InChI InChI=1S/C24H35N3O6/c1-15(2)18-9-7-16(3)12-22(18)33-14-23(28)25-19-13-17(8-10-20(19)27(31)32)26-11-5-4-6-21(26)24(29)30/h8,10,13,15-16,18,21-22H,4-7,9,11-12,14H2,1-3H3,(H,25,28)(H,29,30)/t16-,18+,21?,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.90E+3n/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))		BDBM50132857
PNG
(4-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohe...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C27H36N2O4/c1-18(2)24-13-4-19(3)14-25(24)33-17-26(30)29-16-21-7-11-23(12-8-21)28-15-20-5-9-22(10-6-20)27(31)32/h5-12,18-19,24-25,28H,4,13-17H2,1-3H3,(H,29,30)(H,31,32)/t19-,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.20E+3n/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))		BDBM50132864
PNG
(3-Hydroxy-4-[(4-{2-[2-((1R,2S,5R)-2-isopropyl-5-me...)
Show SMILES COc1cc(C(O)=O)c2Oc3c(CNc4ccc(CCNC(=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/C38H46N2O9/c1-20(2)26-12-7-21(3)15-31(26)47-19-32(42)39-14-13-24-8-10-25(11-9-24)40-18-28-29(41)16-22(4)33-35(28)48-36-27(37(43)44)17-30(46-6)23(5)34(36)49-38(33)45/h8-11,16-17,20-21,26,31,40-41H,7,12-15,18-19H2,1-6H3,(H,39,42)(H,43,44)/t21-,26+,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.90E+3n/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))		BDBM50132882
PNG
(3-Hydroxy-4-{[4-({[2-((1R,2S,5R)-2-isopropyl-5-met...)
Show SMILES CCCN(Cc1ccc(NCc2c(O)cc(C)c3c2Oc2c(OC3=O)c(C)c(OC)cc2C(O)=O)cc1)C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
Show InChI InChI=1S/C40H50N2O9/c1-8-15-42(34(44)21-49-33-16-23(4)9-14-28(33)22(2)3)20-26-10-12-27(13-11-26)41-19-30-31(43)17-24(5)35-37(30)50-38-29(39(45)46)18-32(48-7)25(6)36(38)51-40(35)47/h10-13,17-18,22-23,28,33,41,43H,8-9,14-16,19-21H2,1-7H3,(H,45,46)/t23-,28+,33-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.00E+3n/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))		BDBM50132861
PNG
(3-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohe...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C27H36N2O4/c1-18(2)24-12-7-19(3)13-25(24)33-17-26(30)29-15-20-8-10-23(11-9-20)28-16-21-5-4-6-22(14-21)27(31)32/h4-6,8-11,14,18-19,24-25,28H,7,12-13,15-17H2,1-3H3,(H,29,30)(H,31,32)/t19-,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.80E+3n/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))		BDBM50132859
PNG
(2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxy)-...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2ccccc2Oc2ccccc2)cc1
Show InChI InChI=1S/C32H40N2O3/c1-23(2)29-18-13-24(3)19-31(29)36-22-32(35)34-20-25-14-16-27(17-15-25)33-21-26-9-7-8-12-30(26)37-28-10-5-4-6-11-28/h4-12,14-17,23-24,29,31,33H,13,18-22H2,1-3H3,(H,34,35)/t24-,29+,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.50E+4n/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))		BDBM50132872
PNG
(2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxy)-...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2ccncc2)cc1
Show InChI InChI=1S/C25H35N3O2/c1-18(2)23-9-4-19(3)14-24(23)30-17-25(29)28-16-20-5-7-22(8-6-20)27-15-21-10-12-26-13-11-21/h5-8,10-13,18-19,23-24,27H,4,9,14-17H2,1-3H3,(H,28,29)/t19-,23+,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.50E+4n/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))		BDBM50132866
PNG
(2-[(4-{[2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohe...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2ccccc2S(O)(=O)=O)cc1
Show InChI InChI=1S/C26H36N2O5S/c1-18(2)23-13-8-19(3)14-24(23)33-17-26(29)28-15-20-9-11-22(12-10-20)27-16-21-6-4-5-7-25(21)34(30,31)32/h4-7,9-12,18-19,23-24,27H,8,13-17H2,1-3H3,(H,28,29)(H,30,31,32)/t19-,23+,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.50E+4n/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))		BDBM50132880
PNG
(3-Hydroxy-4-{4-[2-((1R,2S,5R)-2-isopropyl-5-methyl...)
Show SMILES COc1cc(C(O)=O)c2Oc3c(CN4CCC(CC4)NC(=O)CO[C@@H]4C[C@H](C)CC[C@H]4C(C)C)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C35H46N2O9/c1-18(2)23-8-7-19(3)13-28(23)44-17-29(39)36-22-9-11-37(12-10-22)16-25-26(38)14-20(4)30-32(25)45-33-24(34(40)41)15-27(43-6)21(5)31(33)46-35(30)42/h14-15,18-19,22-23,28,38H,7-13,16-17H2,1-6H3,(H,36,39)(H,40,41)/t19-,23+,28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.50E+4n/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))		BDBM50132854
PNG
(CHEMBL114769 | N-(4-Benzylamino-benzyl)-2-((1R,2S,...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C26H36N2O2/c1-19(2)24-14-9-20(3)15-25(24)30-18-26(29)28-17-22-10-12-23(13-11-22)27-16-21-7-5-4-6-8-21/h4-8,10-13,19-20,24-25,27H,9,14-18H2,1-3H3,(H,28,29)/t20-,24+,25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.50E+4n/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
* indicates data uncertainty>20%