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BDBM23920 3-amidinophenylalanine deriv., 62::3-amino-N-(3-{[(2S)-1-[4-(3-aminopropyl)piperidin-1-yl]-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl]sulfamoyl}phenyl)propanamide

SMILES: NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1

InChI Key: InChIKey=FPBMUTVWKLSSHT-DEOSSOPVSA-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 = 23920   
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))
BDBM23920
PNG
(3-amidinophenylalanine deriv., 62 | 3-amino-N-(3-{...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C27H39N7O4S/c28-12-3-5-19-10-14-34(15-11-19)27(36)24(17-20-4-1-6-21(16-20)26(30)31)33-39(37,38)23-8-2-7-22(18-23)32-25(35)9-13-29/h1-2,4,6-8,16,18-19,24,33H,3,5,9-15,17,28-29H2,(H3,30,31)(H,32,35)/t24-/m0/s1
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5n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23920
PNG
(3-amidinophenylalanine deriv., 62 | 3-amino-N-(3-{...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C27H39N7O4S/c28-12-3-5-19-10-14-34(15-11-19)27(36)24(17-20-4-1-6-21(16-20)26(30)31)33-39(37,38)23-8-2-7-22(18-23)32-25(35)9-13-29/h1-2,4,6-8,16,18-19,24,33H,3,5,9-15,17,28-29H2,(H3,30,31)(H,32,35)/t24-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM23920
PNG
(3-amidinophenylalanine deriv., 62 | 3-amino-N-(3-{...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C27H39N7O4S/c28-12-3-5-19-10-14-34(15-11-19)27(36)24(17-20-4-1-6-21(16-20)26(30)31)33-39(37,38)23-8-2-7-22(18-23)32-25(35)9-13-29/h1-2,4,6-8,16,18-19,24,33H,3,5,9-15,17,28-29H2,(H3,30,31)(H,32,35)/t24-/m0/s1
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PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM23920
PNG
(3-amidinophenylalanine deriv., 62 | 3-amino-N-(3-{...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C27H39N7O4S/c28-12-3-5-19-10-14-34(15-11-19)27(36)24(17-20-4-1-6-21(16-20)26(30)31)33-39(37,38)23-8-2-7-22(18-23)32-25(35)9-13-29/h1-2,4,6-8,16,18-19,24,33H,3,5,9-15,17,28-29H2,(H3,30,31)(H,32,35)/t24-/m0/s1
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Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair
Factor Xa (fXa)


(Bos taurus)
BDBM23920
PNG
(3-amidinophenylalanine deriv., 62 | 3-amino-N-(3-{...)
Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C27H39N7O4S/c28-12-3-5-19-10-14-34(15-11-19)27(36)24(17-20-4-1-6-21(16-20)26(30)31)33-39(37,38)23-8-2-7-22(18-23)32-25(35)9-13-29/h1-2,4,6-8,16,18-19,24,33H,3,5,9-15,17,28-29H2,(H3,30,31)(H,32,35)/t24-/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...


J Med Chem 49: 4116-26 (2006)


Article DOI: 10.1021/jm051272l
BindingDB Entry DOI: 10.7270/Q21C1V64
More data for this
Ligand-Target Pair