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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50097373'   
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))
BDBM50097373
PNG
(4-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-1-c...)
Show SMILES O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(C#N)c12
Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2
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n/an/a 43n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome cytochrome P450 19A1 aromatase


J Med Chem 44: 672-80 (2001)


BindingDB Entry DOI: 10.7270/Q28S4P6H
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50097373
PNG
(4-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-1-c...)
Show SMILES O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(C#N)c12
Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human aromatase using [1beta,2beta3H]-]testosterone as substrate


Eur J Med Chem 177: 116-143 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.023
BindingDB Entry DOI: 10.7270/Q2W099B9
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50097373
PNG
(4-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-1-c...)
Show SMILES O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(C#N)c12
Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2
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n/an/a 43n/an/an/an/an/an/a



Universidade de Coimbra

Curated by ChEMBL


Assay Description
Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH


J Med Chem 52: 143-50 (2009)


Article DOI: 10.1021/jm800945c
BindingDB Entry DOI: 10.7270/Q2SQ9080
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50097373
PNG
(4-((1H-imidazol-1-yl)methyl)-9-oxo-9H-xanthene-1-c...)
Show SMILES O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(C#N)c12
Show InChI InChI=1S/C18H11N3O2/c19-9-12-5-6-13(10-21-8-7-20-11-21)18-16(12)17(22)14-3-1-2-4-15(14)23-18/h1-8,11H,10H2
PDB
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase in presence of [1beta,2beta-3H] testosterone by Thompson and Siiteri method


Eur J Med Chem 102: 375-86 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.010
BindingDB Entry DOI: 10.7270/Q2ZC84Q6
More data for this
Ligand-Target Pair