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BDBM50303777 (S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-guanidinopropylamino)-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-2-(2-phenylacetamido)pentanamide::CHEMBL569280

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

InChI Key: InChIKey=ACPMDCNBPZRQGO-FIXSFTCYSA-N

Data: 9 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 9 hits for monomerid = 50303777   
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
Subtilisin/kexin type 6


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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42n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PACE4 expressed in Drosophila schneider 2 cells by fluorescence assay


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Prohormone convertase 1


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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53n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC1/3 expressed in Drosophila schneider 2 cells by fluorescence assay


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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78n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human furin by fluorescence assay


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Subtilisin/kexin type 5


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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85n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC5/6 expressed in Drosophila schneider 2 cells by fluorescence assay


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Prohormone convertase 2


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in Drosophila schneider 2 cells by fluorescence assay


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Subtilisin/kexin type 7


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human PC7 expressed in Drosophila schneider 2 cells by fluorescence assay


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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8.30E+4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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9.70E+4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50303777
PNG
((S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-gua...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
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1.02E+5n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Med Chem 53: 1067-75 (2010)


Article DOI: 10.1021/jm9012455
BindingDB Entry DOI: 10.7270/Q2DN455Q
More data for this
Ligand-Target Pair