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SMILES: O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCCC1

InChI Key: InChIKey=PKMMFCZSDAEBEL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50430721   
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
Aldo-keto reductase family 1 member C3


(Homo sapiens (Human))		BDBM50430721
PNG
(CHEMBL2333519)
Show SMILES O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C14H18N2O3S/c17-14-4-3-11-16(14)12-5-7-13(8-6-12)20(18,19)15-9-1-2-10-15/h5-8H,1-4,9-11H2
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to...

Eur J Med Chem 62: 738-44 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.047
BindingDB Entry DOI: 10.7270/Q2H133CX
More data for this
Ligand-Target Pair