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BDBM50349344 CHEMBL1809250

SMILES: [#6]-[#6]-[#6](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1

InChI Key: InChIKey=HTOGBQJUJBBWIE-BPGUCPLFSA-N

Data: 5 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 5 hits for monomerid = 50349344   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50349344
PNG
(CHEMBL1809250)
Show SMILES [#6]-[#6]-[#6](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C24H35N7O3S/c1-2-20(30-15-17-10-12-19(13-11-17)23(25)26)22(32)21(9-6-14-29-24(27)28)31-35(33,34)16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20-21,30-31H,2,6,9,14-16H2,1H3,(H3,25,26)(H4,27,28,29)/t20?,21-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 21: 4860-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.033
BindingDB Entry DOI: 10.7270/Q2ST7Q5M
More data for this
Ligand-Target Pair
Transmembrane protease serine 11D


(Homo sapiens (Human))
BDBM50349344
PNG
(CHEMBL1809250)
Show SMILES [#6]-[#6]-[#6](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C24H35N7O3S/c1-2-20(30-15-17-10-12-19(13-11-17)23(25)26)22(32)21(9-6-14-29-24(27)28)31-35(33,34)16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20-21,30-31H,2,6,9,14-16H2,1H3,(H3,25,26)(H4,27,28,29)/t20?,21-/m1/s1
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14n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant airway trypsin-like protease HAT using D-cyclohexylalanine-Pro-Arg-AMC as substrate by fluorescence plate reader anal...


Bioorg Med Chem Lett 21: 4860-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.033
BindingDB Entry DOI: 10.7270/Q2ST7Q5M
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50349344
PNG
(CHEMBL1809250)
Show SMILES [#6]-[#6]-[#6](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C24H35N7O3S/c1-2-20(30-15-17-10-12-19(13-11-17)23(25)26)22(32)21(9-6-14-29-24(27)28)31-35(33,34)16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20-21,30-31H,2,6,9,14-16H2,1H3,(H3,25,26)(H4,27,28,29)/t20?,21-/m1/s1
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29n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 21: 4860-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.033
BindingDB Entry DOI: 10.7270/Q2ST7Q5M
More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM50349344
PNG
(CHEMBL1809250)
Show SMILES [#6]-[#6]-[#6](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C24H35N7O3S/c1-2-20(30-15-17-10-12-19(13-11-17)23(25)26)22(32)21(9-6-14-29-24(27)28)31-35(33,34)16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20-21,30-31H,2,6,9,14-16H2,1H3,(H3,25,26)(H4,27,28,29)/t20?,21-/m1/s1
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53n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescenc...


Bioorg Med Chem Lett 21: 4860-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.033
BindingDB Entry DOI: 10.7270/Q2ST7Q5M
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50349344
PNG
(CHEMBL1809250)
Show SMILES [#6]-[#6]-[#6](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C24H35N7O3S/c1-2-20(30-15-17-10-12-19(13-11-17)23(25)26)22(32)21(9-6-14-29-24(27)28)31-35(33,34)16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20-21,30-31H,2,6,9,14-16H2,1H3,(H3,25,26)(H4,27,28,29)/t20?,21-/m1/s1
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3.03E+3n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 21: 4860-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.033
BindingDB Entry DOI: 10.7270/Q2ST7Q5M
More data for this
Ligand-Target Pair