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BDBM50303778 (S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-guanidino-2-((S)-2-((S)-5-guanidino-2-(2-phenylacetamido)pentanamido)-3-methylbutanamido)pentanamide::CHEMBL568067

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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7]

InChI Key: InChIKey=LEEIZVYTIHJJNF-GNKBHMEESA-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 = 50303778   
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
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/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 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 6


(Homo sapiens (Human))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/m0/s1
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67n/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))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/m0/s1
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70n/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
Subtilisin/kexin type 5


(Homo sapiens (Human))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/m0/s1
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173n/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
Subtilisin/kexin type 7


(Homo sapiens (Human))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/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
Prohormone convertase 2


(Homo sapiens (Human))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/m0/s1
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5.00E+4n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/m0/s1
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1.23E+5n/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))
BDBM50303778
PNG
((S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-gu...)
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]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|
Show InChI InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/m0/s1
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>1.00E+6n/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