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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 313.3
BDBM50031709
Purchase
Wt: 329.5
BDBM50079380
Wt: 170.2
BDBM50138663
Purchase
Wt: 289.3
BDBM50138670
Wt: 263.2
BDBM50147086
Wt: 266.2
BDBM50147087
Wt: 344.3
BDBM50147085
Wt: 270.3
BDBM50147090
Wt: 185.2
BDBM50147092
Wt: 272.3
BDBM50157082
Wt: 338.4
BDBM50157084
Wt: 286.3
BDBM50157085
Wt: 331.4
BDBM163475
Wt: 326.3
BDBM163601
Wt: 332.4
BDBM186910
Displayed 1 to 15 (of 487 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 114 hits in this display   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147086
PNG
(8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMI...)
Show SMILES NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)
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30n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147086
PNG
(8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMI...)
Show SMILES NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147086
PNG
(8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMI...)
Show SMILES NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)
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35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157084
PNG
(8-Furan-3-yl-6-styryl-naphthalene-2-carboxamidine ...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1
Show InChI InChI=1S/C23H18N2O/c24-23(25)19-9-8-18-12-17(7-6-16-4-2-1-3-5-16)13-21(22(18)14-19)20-10-11-26-15-20/h1-15H,(H3,24,25)/b7-6+
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83n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50157084
PNG
(8-Furan-3-yl-6-styryl-naphthalene-2-carboxamidine ...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1
Show InChI InChI=1S/C23H18N2O/c24-23(25)19-9-8-18-12-17(7-6-16-4-2-1-3-5-16)13-21(22(18)14-19)20-10-11-26-15-20/h1-15H,(H3,24,25)/b7-6+
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96n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50157084
PNG
(8-Furan-3-yl-6-styryl-naphthalene-2-carboxamidine ...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1
Show InChI InChI=1S/C23H18N2O/c24-23(25)19-9-8-18-12-17(7-6-16-4-2-1-3-5-16)13-21(22(18)14-19)20-10-11-26-15-20/h1-15H,(H3,24,25)/b7-6+
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134n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against plasmin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157084
PNG
(8-Furan-3-yl-6-styryl-naphthalene-2-carboxamidine ...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1
Show InChI InChI=1S/C23H18N2O/c24-23(25)19-9-8-18-12-17(7-6-16-4-2-1-3-5-16)13-21(22(18)14-19)20-10-11-26-15-20/h1-15H,(H3,24,25)/b7-6+
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168n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50147092
PNG
(8-Amino-naphthalene-2-carboxamidine | 8-amino-2-na...)
Show SMILES NC(=N)c1ccc2cccc(N)c2c1
Show InChI InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
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200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
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320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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325n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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325n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against porcine trypsin was determined.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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330n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50157082
PNG
(6-Styryl-naphthalene-2-carboxamidine | CHEMBL18534...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1
Show InChI InChI=1S/C19H16N2/c20-19(21)18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-13H,(H3,20,21)/b7-6+
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346n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147092
PNG
(8-Amino-naphthalene-2-carboxamidine | 8-amino-2-na...)
Show SMILES NC(=N)c1ccc2cccc(N)c2c1
Show InChI InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
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450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
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450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50147092
PNG
(8-Amino-naphthalene-2-carboxamidine | 8-amino-2-na...)
Show SMILES NC(=N)c1ccc2cccc(N)c2c1
Show InChI InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
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450n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147092
PNG
(8-Amino-naphthalene-2-carboxamidine | 8-amino-2-na...)
Show SMILES NC(=N)c1ccc2cccc(N)c2c1
Show InChI InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
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450 -36.2n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147092
PNG
(8-Amino-naphthalene-2-carboxamidine | 8-amino-2-na...)
Show SMILES NC(=N)c1ccc2cccc(N)c2c1
Show InChI InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
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501n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
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530n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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628n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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628 -35.4n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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630 -35.4n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase


(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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630n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


D3R 227: (2015)


BindingDB Entry DOI: 10.7270/Q24B305P
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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631n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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631n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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631n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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631n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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631n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human urokinase-type plasminogen activator (microPa).


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Sus scrofa)
BDBM50157085
PNG
(6-(2-Phenyl-cyclopropyl)-naphthalene-2-carboxamidi...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)
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720n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157082
PNG
(6-Styryl-naphthalene-2-carboxamidine | CHEMBL18534...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1
Show InChI InChI=1S/C19H16N2/c20-19(21)18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-13H,(H3,20,21)/b7-6+
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991n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147086
PNG
(8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMI...)
Show SMILES NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)
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1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50147087
PNG
(8-Furan-3-yl-7-methoxy-naphthalene-2-carboxamidine...)
Show SMILES COc1ccc2ccc(cc2c1-c1ccoc1)C(N)=N
Show InChI InChI=1S/C16H14N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-9H,1H3,(H3,17,18)
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1.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157082
PNG
(6-Styryl-naphthalene-2-carboxamidine | CHEMBL18534...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1
Show InChI InChI=1S/C19H16N2/c20-19(21)18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-13H,(H3,20,21)/b7-6+
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1.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50157082
PNG
(6-Styryl-naphthalene-2-carboxamidine | CHEMBL18534...)
Show SMILES NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1
Show InChI InChI=1S/C19H16N2/c20-19(21)18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-13H,(H3,20,21)/b7-6+
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1.22E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against plasmin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157085
PNG
(6-(2-Phenyl-cyclopropyl)-naphthalene-2-carboxamidi...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)
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1.26E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prothrombin


(Homo sapiens (Human))
BDBM50147087
PNG
(8-Furan-3-yl-7-methoxy-naphthalene-2-carboxamidine...)
Show SMILES COc1ccc2ccc(cc2c1-c1ccoc1)C(N)=N
Show InChI InChI=1S/C16H14N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-9H,1H3,(H3,17,18)
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1.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50157085
PNG
(6-(2-Phenyl-cyclopropyl)-naphthalene-2-carboxamidi...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)
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1.31E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against urokinase plasminogen activator


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin-1


(Homo sapiens (human))
BDBM50147086
PNG
(8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMI...)
Show SMILES NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)
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1.70E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147092
PNG
(8-Amino-naphthalene-2-carboxamidine | 8-amino-2-na...)
Show SMILES NC(=N)c1ccc2cccc(N)c2c1
Show InChI InChI=1S/C11H11N3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H3,13,14)
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1.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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1.90E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Competitive inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasminogen


(Homo sapiens (human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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1.95E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human plasmin.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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1.95E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against plasmin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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1.95E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins ...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against plasmin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50157085
PNG
(6-(2-Phenyl-cyclopropyl)-naphthalene-2-carboxamidi...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccccc1
Show InChI InChI=1S/C20H18N2/c21-20(22)17-9-7-14-10-16(8-6-15(14)11-17)19-12-18(19)13-4-2-1-3-5-13/h1-11,18-19H,12H2,(H3,21,22)
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2.48E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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2.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/s0960-894x(04)00530-x
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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2.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against kallikrein


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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2.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human plasma kallikrein.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
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