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PubMed code 11909717

Compile data set for download or QSAR
Found 7 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))
BDBM50111269
PNG
(7-Methoxy-2-phenyl-3-pyridin-4-ylmethylene-chroman...)
Show SMILES COc1ccc2C(=O)\C(=C\c3ccncc3)C(Oc2c1)c1ccccc1
Show InChI InChI=1S/C22H17NO3/c1-25-17-7-8-18-20(14-17)26-22(16-5-3-2-4-6-16)19(21(18)24)13-15-9-11-23-12-10-15/h2-14,22H,1H3/b19-13-
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n/an/a 620n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental microsome cytochrome P450 19A1


Bioorg Med Chem Lett 12: 1059-61 (2002)


BindingDB Entry DOI: 10.7270/Q2125S01
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50111268
PNG
(2-Phenyl-3-pyridin-4-ylmethylene-chroman-4-one | C...)
Show SMILES O=C1\C(=C\c2ccncc2)C(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H15NO2/c23-20-17-8-4-5-9-19(17)24-21(16-6-2-1-3-7-16)18(20)14-15-10-12-22-13-11-15/h1-14,21H/b18-14-
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n/an/a 800n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental microsome cytochrome P450 19A1


Bioorg Med Chem Lett 12: 1059-61 (2002)


BindingDB Entry DOI: 10.7270/Q2125S01
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50111270
PNG
(7-Methoxy-2-phenyl-3-pyridin-4-ylmethylene-chroman...)
Show SMILES COc1ccc2C(=O)\C(=C/c3ccncc3)C(Oc2c1)c1ccccc1
Show InChI InChI=1S/C22H17NO3/c1-25-17-7-8-18-20(14-17)26-22(16-5-3-2-4-6-16)19(21(18)24)13-15-9-11-23-12-10-15/h2-14,22H,1H3/b19-13+
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n/an/a 1.60E+3n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental microsome cytochrome P450 19A1


Bioorg Med Chem Lett 12: 1059-61 (2002)


BindingDB Entry DOI: 10.7270/Q2125S01
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50111271
PNG
(2-Phenyl-3-pyridin-4-ylmethylene-chroman-4-one | C...)
Show SMILES O=C1\C(=C/c2ccncc2)C(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H15NO2/c23-20-17-8-4-5-9-19(17)24-21(16-6-2-1-3-7-16)18(20)14-15-10-12-22-13-11-15/h1-14,21H/b18-14+
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n/an/a 3.30E+3n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental microsome cytochrome P450 19A1


Bioorg Med Chem Lett 12: 1059-61 (2002)


BindingDB Entry DOI: 10.7270/Q2125S01
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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PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental microsome cytochrome P450 19A1


Bioorg Med Chem Lett 12: 1059-61 (2002)


BindingDB Entry DOI: 10.7270/Q2125S01
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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n/an/a 8.00E+3n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental microsome cytochrome P450 19A1


Bioorg Med Chem Lett 12: 1059-61 (2002)


BindingDB Entry DOI: 10.7270/Q2125S01
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50051358
PNG
(2,3-Dihydroflavone | 2,3-dihydro-2-phenyl-4H-1-ben...)
Show SMILES O=C1CC(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
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n/an/a 2.85E+4n/an/an/an/an/an/a



UPRES EA 1085

Curated by ChEMBL


Assay Description
In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental microsome cytochrome P450 19A1


Bioorg Med Chem Lett 12: 1059-61 (2002)


BindingDB Entry DOI: 10.7270/Q2125S01
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%