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BDBM50257666 (S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide::CHEMBL445195

SMILES: NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=HPNPGMUJDLURDV-NDEPHWFRSA-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 = 50257666   
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
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257666
PNG
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1
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PubMed
17n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50257666
PNG
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1
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350n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50257666
PNG
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1
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PubMed
2.20E+3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of uPA (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50257666
PNG
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1
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Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50257666
PNG
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1
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Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 1960-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681
More data for this
Ligand-Target Pair