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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50118966'   
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))
BDBM50118966
PNG
(1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole |...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3
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n/an/a 60n/an/an/an/an/an/a



UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes assessed as inhibition of aromatization of [1,2,6,7-3H] androstenedione by flow scintillation a...


Eur J Med Chem 46: 2541-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.043
BindingDB Entry DOI: 10.7270/Q2MC90CB
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50118966
PNG
(1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole |...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3
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PubMed
n/an/a 90n/an/an/an/an/an/a



UPRES EA 1085 Biomolécules et Cibles Cellulaires Tumorales

Curated by ChEMBL


Assay Description
In vitro inhibition of [1,2,6,7-3H]androstenedione binding to Aromatase of human placental microsomes


Bioorg Med Chem Lett 14: 5215-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.090
BindingDB Entry DOI: 10.7270/Q26Q1WQ8
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50118966
PNG
(1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole |...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3
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n/an/a 91n/an/an/an/an/an/a



UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes assessed as inhibition of aromatization of [1,2,6,7-3H] androstenedione by flow scintillation a...


Eur J Med Chem 46: 2541-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.043
BindingDB Entry DOI: 10.7270/Q2MC90CB
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50118966
PNG
(1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole |...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3
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n/an/a 91n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
Inhibition of aromatase activity in human placental microsomes


Bioorg Med Chem Lett 12: 2859-61 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FHS
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50118966
PNG
(1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-imidazole |...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 91n/an/an/an/an/an/a



UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes assessed as inhibition of aromatization of [1,2,6,7-3H] androstenedione by flow scintillation a...


Eur J Med Chem 46: 2541-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.043
BindingDB Entry DOI: 10.7270/Q2MC90CB
More data for this
Ligand-Target Pair