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PDB code 1SQT

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (244/245 > 99%)
(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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Article
PubMed
630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator

  (244/245 > 99%)
(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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PDB
630 -35.4n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator

  (244/245 > 99%)
(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
Article
PubMed
631n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output