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BDBM50257557 (S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonamido)-3-(3-carbamimidoylphenyl)propanoyl)piperidin-4-yl)butanamide::CHEMBL492342::US8569313, 48

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

InChI Key: InChIKey=BFTYGDVTHSJQNS-DEOSSOPVSA-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 = 50257557   
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
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257557
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r|
Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1
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US Patent
11.8n/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
Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257557
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r|
Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1
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Article
PubMed
12n/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))
BDBM50257557
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r|
Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1
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Article
PubMed
670n/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))
BDBM50257557
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r|
Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/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 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))
BDBM50257557
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r|
Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1
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Article
PubMed
2.90E+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))
BDBM50257557
PNG
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)
Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r|
Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1
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Article
PubMed
8.20E+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