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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50332809'   
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
Aromatase


(Homo sapiens (Human))
BDBM50332809
PNG
((6S,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:9|
Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12-,13-,14-,16-,18+,19-/m0/s1
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PC cid
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Article
PubMed
12n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD


Eur J Med Chem 105: 1-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50332809
PNG
((6S,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CCCC[C@]34C)[C@@H]1CCC2=O |r,t:9|
Show InChI InChI=1S/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12-,13-,14-,16-,18+,19-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase


Eur J Med Chem 45: 5612-20 (2010)

Checked by Author
Article DOI: 10.1016/j.ejmech.2010.09.011
BindingDB Entry DOI: 10.7270/Q2G44QH8
More data for this
Ligand-Target Pair