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SMILES: NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1

InChI Key: InChIKey=UIEFTXMHYNHGEZ-GOSISDBHSA-N

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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 = 50110010   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50110010
PNG
(CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1
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PC cid
PC sid
UniChem
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490n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of plasminogen activator urokinase.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50110010
PNG
(CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1
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900n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50110010
PNG
(CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1
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2.80E+4n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of Coagulation factor Xa.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50110010
PNG
(CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1
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antibodypedia
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3.30E+4n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of thrombin.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50110010
PNG
(CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...)
Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1
Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1
PDB
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5.90E+4n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of Plasmin.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair