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PubMed code 15380230

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM50118965
PNG
(4-Imidazol-1-yl-2-phenyl-chroman-7-ol | CHEMBL9591...)
Show SMILES Oc1ccc2C(CC(Oc2c1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C18H16N2O2/c21-14-6-7-15-16(20-9-8-19-12-20)11-17(22-18(15)10-14)13-4-2-1-3-5-13/h1-10,12,16-17,21H,11H2
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Article
PubMed
n/an/a 40n/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 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))
BDBM50153525
PNG
(2-Phenyl-4-[1,2,4]triazol-1-yl-chroman-7-ol | CHEM...)
Show SMILES Oc1ccc2C(CC(Oc2c1)c1ccccc1)n1cncn1
Show InChI InChI=1S/C17H15N3O2/c21-13-6-7-14-15(20-11-18-10-19-20)9-16(22-17(14)8-13)12-4-2-1-3-5-12/h1-8,10-11,15-16,21H,9H2
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n/an/a 430n/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))
BDBM50153523
PNG
(1-(7-Methoxy-2-phenyl-chroman-4-yl)-1H-[1,2,4]tria...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccccc1)n1cncn1
Show InChI InChI=1S/C18H17N3O2/c1-22-14-7-8-15-16(21-12-19-11-20-21)10-17(23-18(15)9-14)13-5-3-2-4-6-13/h2-9,11-12,16-17H,10H2,1H3
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n/an/a 1.40E+3n/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))
BDBM50153524
PNG
(4-(7-Methoxy-2-phenyl-chroman-4-yl)-4H-[1,2,4]tria...)
Show SMILES COc1ccc2C(CC(Oc2c1)c1ccccc1)n1cnnc1
Show InChI InChI=1S/C18H17N3O2/c1-22-14-7-8-15-16(21-11-19-20-12-21)10-17(23-18(15)9-14)13-5-3-2-4-6-13/h2-9,11-12,16-17H,10H2,1H3
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PubMed
n/an/a 3.16E+4n/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
* indicates data uncertainty>20%