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BDBM50254367 (+/-)-3-[3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-(3',4'-dimethoxy-biphenyl-3-sulfonylamino)-3-oxo-propyl]-benzamidine::CHEMBL453766

SMILES: COc1ccc(cc1OC)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1

InChI Key: InChIKey=FDTIAXFNZOZOMK-UHFFFAOYSA-N

Data: 5 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50254367   
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))
BDBM50254367
PNG
((+/-)-3-[3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-(3...)
Show SMILES COc1ccc(cc1OC)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1
Show InChI InChI=1S/C31H39N5O5S/c1-40-28-10-9-24(20-29(28)41-2)23-6-4-8-26(19-23)42(38,39)35-27(18-22-5-3-7-25(17-22)30(33)34)31(37)36-15-12-21(11-14-32)13-16-36/h3-10,17,19-21,27,35H,11-16,18,32H2,1-2H3,(H3,33,34)
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5.40n/an/an/an/an/an/an/an/a



Curacyte Discovery GmbH

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin)


Bioorg Med Chem Lett 19: 67-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.019
BindingDB Entry DOI: 10.7270/Q2HH6JXF
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50254367
PNG
((+/-)-3-[3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-(3...)
Show SMILES COc1ccc(cc1OC)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1
Show InChI InChI=1S/C31H39N5O5S/c1-40-28-10-9-24(20-29(28)41-2)23-6-4-8-26(19-23)42(38,39)35-27(18-22-5-3-7-25(17-22)30(33)34)31(37)36-15-12-21(11-14-32)13-16-36/h3-10,17,19-21,27,35H,11-16,18,32H2,1-2H3,(H3,33,34)
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230n/an/an/an/an/an/an/an/a



Curacyte Discovery GmbH

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin)


Bioorg Med Chem Lett 19: 67-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.019
BindingDB Entry DOI: 10.7270/Q2HH6JXF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50254367
PNG
((+/-)-3-[3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-(3...)
Show SMILES COc1ccc(cc1OC)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1
Show InChI InChI=1S/C31H39N5O5S/c1-40-28-10-9-24(20-29(28)41-2)23-6-4-8-26(19-23)42(38,39)35-27(18-22-5-3-7-25(17-22)30(33)34)31(37)36-15-12-21(11-14-32)13-16-36/h3-10,17,19-21,27,35H,11-16,18,32H2,1-2H3,(H3,33,34)
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420n/an/an/an/an/an/an/an/a



Curacyte Discovery GmbH

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 67-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.019
BindingDB Entry DOI: 10.7270/Q2HH6JXF
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50254367
PNG
((+/-)-3-[3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-(3...)
Show SMILES COc1ccc(cc1OC)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1
Show InChI InChI=1S/C31H39N5O5S/c1-40-28-10-9-24(20-29(28)41-2)23-6-4-8-26(19-23)42(38,39)35-27(18-22-5-3-7-25(17-22)30(33)34)31(37)36-15-12-21(11-14-32)13-16-36/h3-10,17,19-21,27,35H,11-16,18,32H2,1-2H3,(H3,33,34)
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1.10E+3n/an/an/an/an/an/an/an/a



Curacyte Discovery GmbH

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)


Bioorg Med Chem Lett 19: 67-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.019
BindingDB Entry DOI: 10.7270/Q2HH6JXF
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50254367
PNG
((+/-)-3-[3-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-(3...)
Show SMILES COc1ccc(cc1OC)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1
Show InChI InChI=1S/C31H39N5O5S/c1-40-28-10-9-24(20-29(28)41-2)23-6-4-8-26(19-23)42(38,39)35-27(18-22-5-3-7-25(17-22)30(33)34)31(37)36-15-12-21(11-14-32)13-16-36/h3-10,17,19-21,27,35H,11-16,18,32H2,1-2H3,(H3,33,34)
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1.40E+4n/an/an/an/an/an/an/an/a



Curacyte Discovery GmbH

Curated by ChEMBL


Assay Description
Inhibition of uPA (unknown origin)


Bioorg Med Chem Lett 19: 67-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.019
BindingDB Entry DOI: 10.7270/Q2HH6JXF
More data for this
Ligand-Target Pair