BindingDB logo
myBDB logout

BDBM50257663 (S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl)sulfamoyl)phenyl)propanamide::CHEMBL493117::US8569313, 55

SMILES: NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1

InChI Key: InChIKey=GKBRVKPJRGQUHI-NRFANRHFSA-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 = 50257663   
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))
BDBM50257663
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)N1CCCCC1 |r|
Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
32n/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))
BDBM50257663
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)N1CCCCC1 |r|
Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
33n/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))
BDBM50257663
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)N1CCCCC1 |r|
Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
270n/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))
BDBM50257663
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)N1CCCCC1 |r|
Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.60E+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))
BDBM50257663
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)N1CCCCC1 |r|
Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.30E+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))
BDBM50257663
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)N1CCCCC1 |r|
Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+4n/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