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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50034143   
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 plasminogen activator surface receptor


(Homo sapiens (Human))
BDBM50357760
PNG
(CHEMBL1916397)
Show SMILES CN(C)c1ccc(CNCCC(Cc2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C26H30N2O2/c1-28(2)24-11-8-21(9-12-24)18-27-15-14-23(16-20-6-4-3-5-7-20)22-10-13-25-26(17-22)30-19-29-25/h3-13,17,23,27H,14-16,18-19H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of AE417-FAM peptide from human uPAR expressed in drosophila S2 cells by fluorescence polarization assay


J Med Chem 54: 7193-205 (2011)


Article DOI: 10.1021/jm200782y
BindingDB Entry DOI: 10.7270/Q28K79H2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50357761
PNG
(CHEMBL1916398)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(C(=O)Nc2cc(C)cc(C)c2)c1C1CCNCC1
Show InChI InChI=1S/C26H32N4O/c1-17(2)20-5-7-23(8-6-20)30-25(21-9-11-27-12-10-21)24(16-28-30)26(31)29-22-14-18(3)13-19(4)15-22/h5-8,13-17,21,27H,9-12H2,1-4H3,(H,29,31)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9 activity in human MDA-MB-231 cells assessed as ECM degradation after 24 hrs by gelatin zymography assay


J Med Chem 54: 7193-205 (2011)


Article DOI: 10.1021/jm200782y
BindingDB Entry DOI: 10.7270/Q28K79H2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50357760
PNG
(CHEMBL1916397)
Show SMILES CN(C)c1ccc(CNCCC(Cc2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C26H30N2O2/c1-28(2)24-11-8-21(9-12-24)18-27-15-14-23(16-20-6-4-3-5-7-20)22-10-13-25-26(17-22)30-19-29-25/h3-13,17,23,27H,14-16,18-19H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9 activity in human MDA-MB-231 cells assessed as ECM degradation after 24 hrs by gelatin zymography assay


J Med Chem 54: 7193-205 (2011)


Article DOI: 10.1021/jm200782y
BindingDB Entry DOI: 10.7270/Q28K79H2
More data for this
Ligand-Target Pair