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9 similar compounds to monomer 50138678

Compile data set for download or QSAR
Wt: 377.4
BDBM92304
Wt: 405.4
BDBM50138661
Wt: 381.4
BDBM50138664
Wt: 347.4
BDBM50138671
Wt: 333.3
BDBM50138679
Wt: 375.4
BDBM50138681
Wt: 319.3
BDBM50138682
Wt: 350.3
BDBM50363674
Wt: 333.3
BDBM50414232

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 92304,50138661,50138664,50138671,50138679,50138681,50138682,50363674,50414232   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin-1


(Homo sapiens (Human))
BDBM50138661
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5...)
Show SMILES CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C24H27N3O3/c1-14(2)29-21-11-20(12-22(13-21)30-15(3)4)27-24(28)19-8-6-16-9-18(23(25)26)7-5-17(16)10-19/h5-15H,1-4H3,(H3,25,26)(H,27,28)
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13n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138661
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5...)
Show SMILES CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C24H27N3O3/c1-14(2)29-21-11-20(12-22(13-21)30-15(3)4)27-24(28)19-8-6-16-9-18(23(25)26)7-5-17(16)10-19/h5-15H,1-4H3,(H3,25,26)(H,27,28)
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28n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM92304
PNG
(uPa_28)
Show SMILES COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C22H23N3O3/c1-13(2)28-20-11-18(10-19(12-20)27-3)25-22(26)17-7-5-14-8-16(21(23)24)6-4-15(14)9-17/h4-13H,1-3H3,(H3,23,24)(H,25,26)
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33 -10.2n/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
Urokinase


(Homo sapiens (Human))
BDBM92304
PNG
(uPa_28)
Show SMILES COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C22H23N3O3/c1-13(2)28-20-11-18(10-19(12-20)27-3)25-22(26)17-7-5-14-8-16(21(23)24)6-4-15(14)9-17/h4-13H,1-3H3,(H3,23,24)(H,25,26)
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D3R
33.3n/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
Trypsin-1


(Homo sapiens (Human))
BDBM50138671
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-i...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
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51n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138671
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-i...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
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63n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138671
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-i...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
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63n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138679
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-e...)
Show SMILES CCOc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C20H19N3O2/c1-2-25-18-5-3-4-17(12-18)23-20(24)16-9-7-13-10-15(19(21)22)8-6-14(13)11-16/h3-12H,2H2,1H3,(H3,21,22)(H,23,24)
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82n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138681
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid [3-(...)
Show SMILES CCC(CC)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C23H25N3O2/c1-3-20(4-2)28-21-7-5-6-19(14-21)26-23(27)18-11-9-15-12-17(22(24)25)10-8-16(15)13-18/h5-14,20H,3-4H2,1-2H3,(H3,24,25)(H,26,27)
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104n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138682
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-m...)
Show SMILES COc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C19H17N3O2/c1-24-17-4-2-3-16(11-17)22-19(23)15-8-6-12-9-14(18(20)21)7-5-13(12)10-15/h2-11H,1H3,(H3,20,21)(H,22,23)
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233n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50414232
PNG
(CHEMBL570081)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C19H15N3O3/c20-18(21)13-3-1-12-8-14(4-2-11(12)7-13)19(23)22-15-5-6-16-17(9-15)25-10-24-16/h1-9H,10H2,(H3,20,21)(H,22,23)
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251n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138664
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-p...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C24H19N3O2/c25-23(26)18-11-9-17-14-19(12-10-16(17)13-18)24(28)27-20-5-4-8-22(15-20)29-21-6-2-1-3-7-21/h1-15H,(H3,25,26)(H,27,28)
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517n/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
Plasminogen


(Homo sapiens (Human))
BDBM50138671
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-i...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
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554n/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50138661
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5...)
Show SMILES CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C24H27N3O3/c1-14(2)29-21-11-20(12-22(13-21)30-15(3)4)27-24(28)19-8-6-16-9-18(23(25)26)7-5-17(16)10-19/h5-15H,1-4H3,(H3,25,26)(H,27,28)
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790n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Tissue type plasminogen activator.


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))
BDBM50138661
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5...)
Show SMILES CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C24H27N3O3/c1-14(2)29-21-11-20(12-22(13-21)30-15(3)4)27-24(28)19-8-6-16-9-18(23(25)26)7-5-17(16)10-19/h5-15H,1-4H3,(H3,25,26)(H,27,28)
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1.06E+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
Plasma kallikrein


(Homo sapiens (Human))
BDBM50138671
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-i...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
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1.37E+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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50138671
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-i...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
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2.37E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Tissue type plasminogen activator.


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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50138671
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3-i...)
Show SMILES CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1
Show InChI InChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
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3.49E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human alpha thrombin.


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
Plasma kallikrein


(Homo sapiens (Human))
BDBM50138661
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5...)
Show SMILES CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C24H27N3O3/c1-14(2)29-21-11-20(12-22(13-21)30-15(3)4)27-24(28)19-8-6-16-9-18(23(25)26)7-5-17(16)10-19/h5-15H,1-4H3,(H3,25,26)(H,27,28)
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4.30E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50138661
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5...)
Show SMILES CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1
Show InChI InChI=1S/C24H27N3O3/c1-14(2)29-21-11-20(12-22(13-21)30-15(3)4)27-24(28)19-8-6-16-9-18(23(25)26)7-5-17(16)10-19/h5-15H,1-4H3,(H3,25,26)(H,27,28)
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2.17E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human alpha thrombin.


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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50363674
PNG
(CHEMBL1945665)
Show SMILES COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc(OC)c1
Show InChI InChI=1S/C20H18N2O4/c1-25-17-9-16(10-18(11-17)26-2)22-20(24)15-6-4-12-7-14(19(21)23)5-3-13(12)8-15/h3-11H,1-2H3,(H2,21,23)(H,22,24)
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n/an/a 3.00E+4n/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