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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50321718   
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
Aldo-keto reductase family 1 member B10


(Homo sapiens (Human))
BDBM50321718
PNG
(2-(2,4-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...)
Show SMILES COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1
Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyr...


Bioorg Med Chem 18: 2485-90 (2010)


Article DOI: 10.1016/j.bmc.2010.02.050
BindingDB Entry DOI: 10.7270/Q2K35TTH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50321718
PNG
(2-(2,4-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...)
Show SMILES COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1
Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reducti...


Bioorg Med Chem 18: 2485-90 (2010)


Article DOI: 10.1016/j.bmc.2010.02.050
BindingDB Entry DOI: 10.7270/Q2K35TTH
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member A1


(Homo sapiens (Human))
BDBM50321718
PNG
(2-(2,4-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-...)
Show SMILES COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1
Show InChI InChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reduction


Bioorg Med Chem 18: 2485-90 (2010)


Article DOI: 10.1016/j.bmc.2010.02.050
BindingDB Entry DOI: 10.7270/Q2K35TTH
More data for this
Ligand-Target Pair