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BDBM50315879 1,5-bis(4-ethoxyphenyl)penta-1,4-dien-3-one::CHEMBL1093989

SMILES: CCOc1ccc(\C=C\C(=O)\C=C\c2ccc(OCC)cc2)cc1

InChI Key: InChIKey=HNLBEOUOQMIQHF-YDWXAUTNSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50315879   
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
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50315879
PNG
(1,5-bis(4-ethoxyphenyl)penta-1,4-dien-3-one | CHEM...)
Show SMILES CCOc1ccc(\C=C\C(=O)\C=C\c2ccc(OCC)cc2)cc1
Show InChI InChI=1S/C21H22O3/c1-3-23-20-13-7-17(8-14-20)5-11-19(22)12-6-18-9-15-21(16-10-18)24-4-2/h5-16H,3-4H2,1-2H3/b11-5+,12-6+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells


Bioorg Med Chem Lett 20: 2549-51 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.089
BindingDB Entry DOI: 10.7270/Q2R211J3
More data for this
Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)


(Rattus norvegicus (rat))
BDBM50315879
PNG
(1,5-bis(4-ethoxyphenyl)penta-1,4-dien-3-one | CHEM...)
Show SMILES CCOc1ccc(\C=C\C(=O)\C=C\c2ccc(OCC)cc2)cc1
Show InChI InChI=1S/C21H22O3/c1-3-23-20-13-7-17(8-14-20)5-11-19(22)12-6-18-9-15-21(16-10-18)24-4-2/h5-16H,3-4H2,1-2H3/b11-5+,12-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.95E+3n/an/an/an/an/an/a



Wenzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM


Bioorg Med Chem Lett 23: 4362-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.080
BindingDB Entry DOI: 10.7270/Q27D2WJM
More data for this
Ligand-Target Pair