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BDBM50349350 CHEMBL1809256

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7]

InChI Key: InChIKey=AKONMZDZNATZKC-UXHICEINSA-N

Data: 4 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 4 hits for monomerid = 50349350   
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))
BDBM50349350
PNG
(CHEMBL1809256)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C23H33N7O4S/c24-22(25)18-10-8-16(9-11-18)13-29-20(14-31)21(32)19(7-4-12-28-23(26)27)30-35(33,34)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,29-31H,4,7,12-15H2,(H3,24,25)(H4,26,27,28)/t19-,20+/m1/s1
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14.5n/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))
BDBM50349350
PNG
(CHEMBL1809256)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C23H33N7O4S/c24-22(25)18-10-8-16(9-11-18)13-29-20(14-31)21(32)19(7-4-12-28-23(26)27)30-35(33,34)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,29-31H,4,7,12-15H2,(H3,24,25)(H4,26,27,28)/t19-,20+/m1/s1
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34n/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
Plasminogen


(Homo sapiens (Human))
BDBM50349350
PNG
(CHEMBL1809256)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C23H33N7O4S/c24-22(25)18-10-8-16(9-11-18)13-29-20(14-31)21(32)19(7-4-12-28-23(26)27)30-35(33,34)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,29-31H,4,7,12-15H2,(H3,24,25)(H4,26,27,28)/t19-,20+/m1/s1
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161n/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
Prothrombin


(Homo sapiens (Human))
BDBM50349350
PNG
(CHEMBL1809256)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C23H33N7O4S/c24-22(25)18-10-8-16(9-11-18)13-29-20(14-31)21(32)19(7-4-12-28-23(26)27)30-35(33,34)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,29-31H,4,7,12-15H2,(H3,24,25)(H4,26,27,28)/t19-,20+/m1/s1
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Article
PubMed
1.61E+3n/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