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BDBM66087 2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-pyridinone::2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-pyridone::2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one::2-azanylethanol;6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one::Ciclopirox::Ciclopirox ethanolamine::MLS002153867::SMR001233223::cid_38911

SMILES: Cc1cc(C2CCCCC2)n(O)c(=O)c1

InChI Key: InChIKey=SCKYRAXSEDYPSA-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 66087   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Isocitrate Dehydrogenase (IDH1)


(Homo sapiens (Human))
BDBM66087
PNG
(2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-p...)
Show SMILES Cc1cc(C2CCCCC2)n(O)c(=O)c1
Show InChI InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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DrugBank
PC cid
PC sid
UniChem

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Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption


J Med Chem 57: 8307-18 (2014)

More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens)
BDBM66087
PNG
(2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-p...)
Show SMILES Cc1cc(C2CCCCC2)n(O)c(=O)c1
Show InChI InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)

More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM66087
PNG
(2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-p...)
Show SMILES Cc1cc(C2CCCCC2)n(O)c(=O)c1
Show InChI InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
PDB

KEGG

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PCBioAssay
n/an/an/an/a 5.34E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM66087
PNG
(2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methyl-2-p...)
Show SMILES Cc1cc(C2CCCCC2)n(O)c(=O)c1
Show InChI InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
PDB

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KEGG

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DrugBank
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Weill Medical College of Cornell University



Assay Description
The predication of no specific interaction between enzyme and iron-binding inhibitors but the Enzyme inhibition constants (IC50s)will change in paral...


Chem Biol 17: 380-91 (2010)

More data for this
Ligand-Target Pair