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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 456.4
BDBM50467211

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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))
BDBM50467211
PNG
(CHEMBL4281179)
Show SMILES Cc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C25H26F2N2O4/c1-14-8-17(16-7-5-6-15(10-16)13-28)11-18(9-14)32-22-19(26)12-20(27)23(29-22)33-21(24(30)31)25(2,3)4/h5-12,21H,13,28H2,1-4H3,(H,30,31)/t21-/m0/s1
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PC sid
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Article
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n/an/a 51n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human uPA


Bioorg Med Chem Lett 28: 3372-3375 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.001
BindingDB Entry DOI: 10.7270/Q24Q7XNF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50467211
PNG
(CHEMBL4281179)
Show SMILES Cc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C25H26F2N2O4/c1-14-8-17(16-7-5-6-15(10-16)13-28)11-18(9-14)32-22-19(26)12-20(27)23(29-22)33-21(24(30)31)25(2,3)4/h5-12,21H,13,28H2,1-4H3,(H,30,31)/t21-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human tPA


Bioorg Med Chem Lett 28: 3372-3375 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.001
BindingDB Entry DOI: 10.7270/Q24Q7XNF
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50467211
PNG
(CHEMBL4281179)
Show SMILES Cc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C25H26F2N2O4/c1-14-8-17(16-7-5-6-15(10-16)13-28)11-18(9-14)32-22-19(26)12-20(27)23(29-22)33-21(24(30)31)25(2,3)4/h5-12,21H,13,28H2,1-4H3,(H,30,31)/t21-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Abdulaziz University for Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of human plasmin


Bioorg Med Chem Lett 28: 3372-3375 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.001
BindingDB Entry DOI: 10.7270/Q24Q7XNF
More data for this
Ligand-Target Pair