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BDBM50257706 (S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(4-(4-hydroxyphenyl)piperazin-1-yl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide::CHEMBL506479

SMILES: NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1

InChI Key: InChIKey=LZDMFSBYJNRSGE-SANMLTNESA-N

Data: 5 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50257706   
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))
BDBM50257706
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1
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PubMed
150n/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
Plasminogen


(Homo sapiens (Human))
BDBM50257706
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1
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2.50E+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))
BDBM50257706
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1
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2.50E+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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50257706
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1
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Article
PubMed
8.37E+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
Prothrombin


(Homo sapiens (Human))
BDBM50257706
PNG
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1
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Article
PubMed
1.45E+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