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BDBM50257760 3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl)sulfamoyl)phenyl)propanamide::CHEMBL493140

SMILES: CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1

InChI Key: InChIKey=ZTGIKJJBRLQJBY-UGNFMNBCSA-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 = 50257760   
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
Prothrombin


(Homo sapiens (Human))
BDBM50257760
PNG
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)
Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1
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Article
PubMed
395n/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
Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein


(Homo sapiens (Human))
BDBM50257760
PNG
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)
Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1
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Article
PubMed
470n/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))
BDBM50257760
PNG
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)
Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1
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Article
PubMed
4.50E+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))
BDBM50257760
PNG
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)
Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1
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Article
PubMed
1.70E+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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50257760
PNG
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)
Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1
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Article
PubMed
3.45E+4n/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