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Articleid 50029829

Compile data set for download or QSAR
Found 61 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
Prothrombin


(Homo sapiens (Human))
BDBM50288406
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
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0.0410n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50288406
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
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0.0450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288405
PNG
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288414
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O
Show InChI InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
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0.240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288409
PNG
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)
Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50288405
PNG
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1
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0.610n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288407
PNG
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1
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0.690n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288408
PNG
(1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50288407
PNG
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288413
PNG
(CHEMBL101759 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O
Show InChI InChI=1S/C22H30BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1-6,9-12,20,29-30H,7-8,13-17,24H2,(H,25,27)/t20-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288403
PNG
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50069174
PNG
(Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288402
PNG
(Borolysine analogue | CHEMBL431814)
Show SMILES CN=C(N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C18H30BN5O4/c1-21-18(20)22-12-6-9-15(19(27)28)23-16(25)13-24(2)17(26)11-10-14-7-4-3-5-8-14/h3-5,7-8,15,27-28H,6,9-13H2,1-2H3,(H,23,25)(H3,20,21,22)/t15-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50288409
PNG
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)
Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50069174
PNG
(Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50288403
PNG
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288404
PNG
(CHEMBL101707 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(Cc1ccccc1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C23H32BN3O4/c25-16-8-7-13-21(24(30)31)26-22(28)18-27(17-20-11-5-2-6-12-20)23(29)15-14-19-9-3-1-4-10-19/h1-6,9-12,21,30-31H,7-8,13-18,25H2,(H,26,28)/t21-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288400
PNG
(CHEMBL419892 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C22H36BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,29-30H,2,5-8,11-17,24H2,(H,25,27)/t20-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288406
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
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5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288412
PNG
(CHEMBL330149 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C18H30BN3O4/c1-22(18(24)12-7-10-15-8-3-2-4-9-15)14-17(23)21-16(19(25)26)11-5-6-13-20/h2-4,8-9,16,25-26H,5-7,10-14,20H2,1H3,(H,21,23)/t16-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50288406
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50288400
PNG
(CHEMBL419892 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C22H36BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,29-30H,2,5-8,11-17,24H2,(H,25,27)/t20-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288410
PNG
(CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288411
PNG
(CHEMBL100187 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C16H26BN3O4/c1-20(16(22)11-13-7-3-2-4-8-13)12-15(21)19-14(17(23)24)9-5-6-10-18/h2-4,7-8,14,23-24H,5-6,9-12,18H2,1H3,(H,19,21)/t14-/m0/s1
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50288402
PNG
(Borolysine analogue | CHEMBL431814)
Show SMILES CN=C(N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C18H30BN5O4/c1-21-18(20)22-12-6-9-15(19(27)28)23-16(25)13-24(2)17(26)11-10-14-7-4-3-5-8-14/h3-5,7-8,15,27-28H,6,9-13H2,1-2H3,(H,23,25)(H3,20,21,22)/t15-/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50288410
PNG
(CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of trypsin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50288405
PNG
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1
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51n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288406
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
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55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

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


(Bos taurus (Bovine))
BDBM50288408
PNG
(1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288405
PNG
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288401
PNG
(CHEMBL317587 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H24BN3O4/c1-19(15(21)12-7-3-2-4-8-12)11-14(20)18-13(16(22)23)9-5-6-10-17/h2-4,7-8,13,22-23H,5-6,9-11,17H2,1H3,(H,18,20)/t13-/m0/s1
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123n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of thrombin.


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288403
PNG
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1
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125n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288403
PNG
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50069174
PNG
(Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288413
PNG
(CHEMBL101759 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O
Show InChI InChI=1S/C22H30BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1-6,9-12,20,29-30H,7-8,13-17,24H2,(H,25,27)/t20-/m0/s1
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288407
PNG
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288409
PNG
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)
Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288409
PNG
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)
Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288414
PNG
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O
Show InChI InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

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


(Bos taurus (Bovine))
BDBM50288407
PNG
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288413
PNG
(CHEMBL101759 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O
Show InChI InChI=1S/C22H30BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1-6,9-12,20,29-30H,7-8,13-17,24H2,(H,25,27)/t20-/m0/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50069174
PNG
(Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288400
PNG
(CHEMBL419892 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C22H36BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,29-30H,2,5-8,11-17,24H2,(H,25,27)/t20-/m0/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50288413
PNG
(CHEMBL101759 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O
Show InChI InChI=1S/C22H30BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1-6,9-12,20,29-30H,7-8,13-17,24H2,(H,25,27)/t20-/m0/s1
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288412
PNG
(CHEMBL330149 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C18H30BN3O4/c1-22(18(24)12-7-10-15-8-3-2-4-9-15)14-17(23)21-16(19(25)26)11-5-6-13-20/h2-4,8-9,16,25-26H,5-7,10-14,20H2,1H3,(H,21,23)/t16-/m0/s1
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350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288404
PNG
(CHEMBL101707 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(Cc1ccccc1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C23H32BN3O4/c25-16-8-7-13-21(24(30)31)26-22(28)18-27(17-20-11-5-2-6-12-20)23(29)15-14-19-9-3-1-4-10-19/h1-6,9-12,21,30-31H,7-8,13-18,25H2,(H,26,28)/t21-/m0/s1
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350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288410
PNG
(CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1
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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288405
PNG
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1
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460n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288411
PNG
(CHEMBL100187 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C16H26BN3O4/c1-20(16(22)11-13-7-3-2-4-8-13)12-15(21)19-14(17(23)24)9-5-6-10-18/h2-4,7-8,14,23-24H,5-6,9-12,18H2,1H3,(H,19,21)/t14-/m0/s1
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288400
PNG
(CHEMBL419892 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C22H36BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,29-30H,2,5-8,11-17,24H2,(H,25,27)/t20-/m0/s1
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50288409
PNG
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)
Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1
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680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50288407
PNG
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1
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750n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288401
PNG
(CHEMBL317587 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H24BN3O4/c1-19(15(21)12-7-3-2-4-8-12)11-14(20)18-13(16(22)23)9-5-6-10-17/h2-4,7-8,13,22-23H,5-6,9-11,17H2,1H3,(H,18,20)/t13-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50288400
PNG
(CHEMBL419892 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C22H36BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,29-30H,2,5-8,11-17,24H2,(H,25,27)/t20-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50288402
PNG
(Borolysine analogue | CHEMBL431814)
Show SMILES CN=C(N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C18H30BN5O4/c1-21-18(20)22-12-6-9-15(19(27)28)23-16(25)13-24(2)17(26)11-10-14-7-4-3-5-8-14/h3-5,7-8,15,27-28H,6,9-13H2,1-2H3,(H,23,25)(H3,20,21,22)/t15-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50288403
PNG
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1
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3.37E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50069174
PNG
(Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1
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3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50288410
PNG
(CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288410
PNG
(CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...)
Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50288402
PNG
(Borolysine analogue | CHEMBL431814)
Show SMILES CN=C(N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C18H30BN5O4/c1-21-18(20)22-12-6-9-15(19(27)28)23-16(25)13-24(2)17(26)11-10-14-7-4-3-5-8-14/h3-5,7-8,15,27-28H,6,9-13H2,1-2H3,(H,23,25)(H3,20,21,22)/t15-/m0/s1
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1.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of plasmin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50288415
PNG
(CHEMBL329258 | N-[(5-Amino-1-dihydroxyboranyl-pent...)
Show SMILES NCCCC[C@H](NC(=O)CNC(=O)CCc1ccccc1)B(O)O
Show InChI InChI=1S/C16H26BN3O4/c18-11-5-4-8-14(17(23)24)20-16(22)12-19-15(21)10-9-13-6-2-1-3-7-13/h1-3,6-7,14,23-24H,4-5,8-12,18H2,(H,19,21)(H,20,22)/t14-/m0/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of thrombin


Bioorg Med Chem Lett 6: 2913-2918 (1996)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%