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BDBM50396737 CHEMBL2172248

SMILES: Cc1cc(Nc2cc(ccc2C)C(O)=O)nc(C)n1

InChI Key: InChIKey=ADVCNTXYIOLPAF-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396737   
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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50396737
PNG
(CHEMBL2172248)
Show SMILES Cc1cc(Nc2cc(ccc2C)C(O)=O)nc(C)n1
Show InChI InChI=1S/C14H15N3O2/c1-8-4-5-11(14(18)19)7-12(8)17-13-6-9(2)15-10(3)16-13/h4-7H,1-3H3,(H,18,19)(H,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.44E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry


J Med Chem 55: 7417-24 (2012)


Article DOI: 10.1021/jm300841n
BindingDB Entry DOI: 10.7270/Q2125TR9
More data for this
Ligand-Target Pair