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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50005032   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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n/an/a 4.13n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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n/an/a 11.2n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 50.6n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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n/an/a 55n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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n/an/a 97n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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n/an/a 190n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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n/an/a 873n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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n/an/a 1.83E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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n/an/a 2.32E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 2.62E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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n/an/a 3.66E+3n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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n/an/a 1.57E+4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Arg-pNA) for pancreatic kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a 3.41E+4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Arg-pNA) for pancreatic kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Met-pNA) for cathepsin G in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Suc-Ala-Ala-Pro-Phe-pNA) for chymotrypsin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Met-pNA) for cathepsin G in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Val-pNA) for sputum elastase in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Suc-Ala-Ala-Pro-Phe-pNA) for chymotrypsin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Met-pNA) for cathepsin G in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Val-pNA) for sputum elastase in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50031708
PNG
(4-[(E)-2-(Allyl-ethoxycarbonylmethyl-carbamoyl)-pr...)
Show SMILES CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H27N3O5/c1-4-14-28(16-22(29)32-5-2)24(30)17(3)15-18-6-8-20(9-7-18)25(31)33-21-12-10-19(11-13-21)23(26)27/h4,6-13,15H,1,5,14,16H2,2-3H3,(H3,26,27)/b17-15+
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Suc-Ala-Ala-Pro-Phe-pNA) for chymotrypsin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Met-pNA) for cathepsin G in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Suc-Ala-Ala-Pro-Phe-pNA) for chymotrypsin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Val-pNA) for sputum elastase in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031707
PNG
(4-[(E)-2-(Allyl-carboxymethyl-carbamoyl)-propenyl]...)
Show SMILES C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-3-12-26(14-20(27)28)22(29)15(2)13-16-4-6-18(7-5-16)23(30)31-19-10-8-17(9-11-19)21(24)25/h3-11,13H,1,12,14H2,2H3,(H3,24,25)(H,27,28)/b15-13+
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Arg-pNA) for pancreatic kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Val-pNA) for sputum elastase in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Arg-pNA) for pancreatic kallikrein in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50031709
PNG
(4-Guanidino-benzoic acid 4-carboxymethyl-phenyl es...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
Show InChI InChI=1S/C16H15N3O4/c17-16(18)19-12-5-3-11(4-6-12)15(22)23-13-7-1-10(2-8-13)9-14(20)21/h1-8H,9H2,(H,20,21)(H4,17,18,19)
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n/an/a 1.08E+5n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro.


J Med Chem 38: 2521-3 (1995)


BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair