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BDBM50257664 (S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-oxo-1-(piperazin-1-yl)propan-2-yl)sulfamoyl)phenyl)propanamide::CHEMBL493118::US8569313, 54

SMILES: NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1

InChI Key: InChIKey=IDRHKJAGRANANS-FQEVSTJZSA-N

Data: 6 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 6 hits for monomerid = 50257664   
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))
BDBM50257664
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1
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US Patent
36n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
Inhibition assay using matriptase enzyme


US Patent US8569313 (2013)


BindingDB Entry DOI: 10.7270/Q2639ND5
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257664
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1
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Article
PubMed
37n/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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50257664
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1
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Article
PubMed
880n/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
Coagulation factor X


(Homo sapiens (Human))
BDBM50257664
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1
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Article
PubMed
2.10E+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
Plasminogen


(Homo sapiens (Human))
BDBM50257664
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1
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Article
PubMed
2.56E+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
Prothrombin


(Homo sapiens (Human))
BDBM50257664
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1
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Article
PubMed
7.17E+4n/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