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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 279.2
BDBM32709
Purchase
Wt: 299.7
BDBM33882
Purchase
Wt: 324.3
BDBM33437
Purchase
Wt: 218.2
BDBM33453
Purchase
Wt: 324.3
BDBM50444602
Purchase
Wt: 324.3
BDBM50444603
Purchase
Wt: 310.3
BDBM50444604
Purchase
Wt: 331.7
BDBM113065
Wt: 327.3
BDBM113069
Wt: 325.3
BDBM113119
Wt: 329.7
BDBM113248
Wt: 341.3
BDBM113292
Wt: 329.3
BDBM113295
Wt: 311.2
BDBM113296
Wt: 315.7
BDBM113300
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

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

Found 113 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
Kallikrein 7


(Homo sapiens)
BDBM113065
PNG
(US9695194, 2)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
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73 -42.4n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM113119
PNG
(US9695194, 6)
Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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80 -42.1n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM113069
PNG
(US9695194, 5)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC
Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3
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85 -42.0n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM113248
PNG
(US9695194, 7)
Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2
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90 -41.8n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM113065
PNG
(US9695194, 2)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
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100 -41.6n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113296
PNG
(US9695194, 13)
Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113119
PNG
(US9695194, 6)
Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113300
PNG
(US9695194, 16)
Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113248
PNG
(US9695194, 7)
Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2
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<100<-41.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM113295
PNG
(US9695194, 12)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3
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147 -40.6n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM113300
PNG
(US9695194, 16)
Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
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149 -40.5n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM113296
PNG
(US9695194, 13)
Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3
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155 -40.4n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM113292
PNG
(US9695194, 9)
Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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228 -39.4n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37° C. in 10 mM Na phosphate ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM113069
PNG
(US9695194, 5)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC
Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3
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300 -38.7n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113292
PNG
(US9695194, 9)
Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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400 -38.0n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM113300
PNG
(US9695194, 16)
Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
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400 -38.0n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM113248
PNG
(US9695194, 7)
Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2
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500 -37.4n/an/an/an/an/a8.337



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37° ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM113069
PNG
(US9695194, 5)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC
Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3
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500 -37.4n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM113065
PNG
(US9695194, 2)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
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500 -37.4n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM113119
PNG
(US9695194, 6)
Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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600 -36.9n/an/an/an/an/a8.337



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37° ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM113300
PNG
(US9695194, 16)
Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
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600 -36.9n/an/an/an/an/a8.337



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37° ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113295
PNG
(US9695194, 12)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3
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600 -36.9n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM113296
PNG
(US9695194, 13)
Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3
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600 -36.9n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM113119
PNG
(US9695194, 6)
Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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700 -36.5n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM113296
PNG
(US9695194, 13)
Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3
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700 -36.5n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM113295
PNG
(US9695194, 12)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3
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700 -36.5n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM113296
PNG
(US9695194, 13)
Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3
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800 -36.2n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM113292
PNG
(US9695194, 9)
Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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900 -35.9n/an/an/an/an/a8.337



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37° ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM113300
PNG
(US9695194, 16)
Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
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1.00E+3 -35.6n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM113119
PNG
(US9695194, 6)
Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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1.00E+3 -35.6n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM113295
PNG
(US9695194, 12)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3
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1.00E+3 -35.6n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM113295
PNG
(US9695194, 12)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3
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1.10E+3 -35.4n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM113069
PNG
(US9695194, 5)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC
Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3
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1.20E+3 -35.2n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM113300
PNG
(US9695194, 16)
Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
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1.30E+3 -34.9n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM113292
PNG
(US9695194, 9)
Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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1.30E+3 -34.9n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM113292
PNG
(US9695194, 9)
Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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1.30E+3 -34.9n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM113119
PNG
(US9695194, 6)
Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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1.40E+3 -34.8n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM113292
PNG
(US9695194, 9)
Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3
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1.50E+3 -34.6n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM113296
PNG
(US9695194, 13)
Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3
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1.80E+3 -34.1n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM113248
PNG
(US9695194, 7)
Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2
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1.90E+3 -34.0n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM113248
PNG
(US9695194, 7)
Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2
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2.20E+3 -33.6n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37° C. in 0.1 M Tris, pH 8.0,...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM113248
PNG
(US9695194, 7)
Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2
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2.70E+3 -33.1n/an/an/an/an/a8.037



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37° C. in 0.1 mM Tris, pH ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM113296
PNG
(US9695194, 13)
Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3
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3.00E+3 -32.8n/an/an/an/an/a8.337



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37° ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM113300
PNG
(US9695194, 16)
Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
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3.70E+3 -32.3n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM32709
PNG
((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-met...)
Show SMILES Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)
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PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC)

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by double-reciprocal plot analysis


Bioorg Med Chem Lett 23: 4547-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.039
BindingDB Entry DOI: 10.7270/Q23B61JV
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM113065
PNG
(US9695194, 2)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
PDB
MMDB

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UniChem
>1.00E+4>-29.7n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin acti...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM113065
PNG
(US9695194, 2)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
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US Patent


Assay Description
Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM113295
PNG
(US9695194, 12)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3
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>1.00E+4>-29.7n/an/an/an/an/a8.337



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37° ...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM113295
PNG
(US9695194, 12)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3
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>1.00E+4>-29.7n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM113065
PNG
(US9695194, 2)
Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
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UniChem
>1.00E+4>-29.7n/an/an/an/an/a7.237



SIXERA PHARMA AB

US Patent


Assay Description
Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852). Trypsin activity was determined at 3...


US Patent US9695194 (2017)


BindingDB Entry DOI: 10.7270/Q2CN723D
More data for this
Ligand-Target Pair
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