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1 similar compounds to monomer 50424712

Compile data set for download or QSAR
Wt: 398.4
BDBM50031706

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50031706   
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
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50031706
PNG
(4-Guanidino-benzoic acid 4-dimethylcarbamoylmethox...)
Show SMILES CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)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)


Article DOI: 10.1021/jm00014a003
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 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)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)


Article DOI: 10.1021/jm00014a003
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 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)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-Val-pNA) for sputum elastase in vitro.


J Med Chem 38: 2521-3 (1995)


Article DOI: 10.1021/jm00014a003
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 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)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)


Article DOI: 10.1021/jm00014a003
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 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)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 (Suc-Ala-Ala-Pro-Phe-pNA) for chymotrypsin in vitro.


J Med Chem 38: 2521-3 (1995)


Article DOI: 10.1021/jm00014a003
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 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)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)


Article DOI: 10.1021/jm00014a003
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 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)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)


Article DOI: 10.1021/jm00014a003
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 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(cc2)N=C(N)N)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)


Article DOI: 10.1021/jm00014a003
BindingDB Entry DOI: 10.7270/Q2MC8Z12
More data for this
Ligand-Target Pair