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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Urokinase-type plasminogen activator' and Ligand = 'BDBM50529246'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50529246
PNG
(CHEMBL4473654)
Show SMILES NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
Show InChI InChI=1S/C14H13N7O2/c15-11-9(8-5-6-3-1-2-4-7(6)23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22)
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302n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human kidney uPA using fluorogenic Z-Pyr-Gly-Arg-MCA as substrate measured after 15 mins by fluorometric analysis


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126753
BindingDB Entry DOI: 10.7270/Q2BV7M3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50529246
PNG
(CHEMBL4473654)
Show SMILES NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
Show InChI InChI=1S/C14H13N7O2/c15-11-9(8-5-6-3-1-2-4-7(6)23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22)
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n/an/a 430n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human kidney uPA using chromogenic H-D-Ile-L-propyl-L-arginine-p-nitroaniline as substrate


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126753
BindingDB Entry DOI: 10.7270/Q2BV7M3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50529246
PNG
(CHEMBL4473654)
Show SMILES NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
Show InChI InChI=1S/C14H13N7O2/c15-11-9(8-5-6-3-1-2-4-7(6)23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22)
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n/an/a 430n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human uPA


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126753
BindingDB Entry DOI: 10.7270/Q2BV7M3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Mus musculus (Mouse))
BDBM50529246
PNG
(CHEMBL4473654)
Show SMILES NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
Show InChI InChI=1S/C14H13N7O2/c15-11-9(8-5-6-3-1-2-4-7(6)23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22)
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of mouse uPA


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126753
BindingDB Entry DOI: 10.7270/Q2BV7M3S
More data for this
Ligand-Target Pair