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PubMed code 12270163

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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n/an/a 41n/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
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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))
BDBM50104887
PNG
(2,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-o...)
Show SMILES Oc1ccc2C(=O)CC(Oc2c1)c1ccccc1
Show InChI InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
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n/an/a 3.80E+3n/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))
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 5.20E+3n/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))
BDBM50106920
PNG
((+/-)-7-methoxy-2-phenylchroman-4-one | 7-Methoxy-...)
Show SMILES COc1ccc2C(=O)CC(Oc2c1)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
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PubMed
n/an/a 8.00E+3n/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
* indicates data uncertainty>20%