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PubMed code 21353776

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50340957
PNG
(8-nitro-2-(2,3,4-trihydroxyphenyl)naphthalene-1,4-...)
Show SMILES Oc1ccc(C2=CC(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(O)c1O |t:5|
Show InChI InChI=1S/C16H9NO7/c18-11-5-4-7(15(21)16(11)22)9-6-12(19)8-2-1-3-10(17(23)24)13(8)14(9)20/h1-6,18,21-22H
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 21: 2079-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50340956
PNG
(5,8-dihydroxy-2-(2,3,4-trihydroxyphenyl)naphthalen...)
Show SMILES Oc1ccc(C2=CC(=O)c3c(O)ccc(O)c3C2=O)c(O)c1O |t:5|
Show InChI InChI=1S/C16H10O7/c17-8-3-4-9(18)13-12(8)11(20)5-7(14(13)21)6-1-2-10(19)16(23)15(6)22/h1-5,17-19,22-23H
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UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 21: 2079-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.001
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50340955
PNG
(2-(2,4-dihydroxyphenyl)-8-hydroxy-1,4-naphthoquino...)
Show SMILES Oc1ccc(C2=CC(=O)c3c(O)cccc3C2=O)c(O)c1 |t:5|
Show InChI InChI=1S/C16H10O5/c17-8-4-5-9(13(19)6-8)11-7-14(20)15-10(16(11)21)2-1-3-12(15)18/h1-7,17-19H
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UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 21: 2079-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.001
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50340955
PNG
(2-(2,4-dihydroxyphenyl)-8-hydroxy-1,4-naphthoquino...)
Show SMILES Oc1ccc(C2=CC(=O)c3c(O)cccc3C2=O)c(O)c1 |t:5|
Show InChI InChI=1S/C16H10O5/c17-8-4-5-9(13(19)6-8)11-7-14(20)15-10(16(11)21)2-1-3-12(15)18/h1-7,17-19H
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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of DYRK1a


Bioorg Med Chem Lett 21: 2079-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.001
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50340956
PNG
(5,8-dihydroxy-2-(2,3,4-trihydroxyphenyl)naphthalen...)
Show SMILES Oc1ccc(C2=CC(=O)c3c(O)ccc(O)c3C2=O)c(O)c1O |t:5|
Show InChI InChI=1S/C16H10O7/c17-8-3-4-9(18)13-12(8)11(20)5-7(14(13)21)6-1-2-10(19)16(23)15(6)22/h1-5,17-19,22-23H
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.14E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of DYRK1a


Bioorg Med Chem Lett 21: 2079-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.001
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%