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BDBM113119 US9695194, 6

SMILES: COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1

InChI Key: InChIKey=GBDNHNNAGDSWAW-UHFFFAOYSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 113119   
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 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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80n/an/an/an/an/an/an/an/a



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
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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<100n/an/an/an/an/an/an/an/a



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
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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600n/an/an/an/an/an/an/an/a



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
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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700n/an/an/an/an/an/an/an/a



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)
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+3n/an/an/an/an/an/an/an/a



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)
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
KEGG

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PC sid
UniChem
1.40E+3n/an/an/an/an/an/an/an/a



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))
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+4n/an/an/an/an/an/an/an/a



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