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PubMed code 23731360

Compile data set for download or QSAR
Found 12 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))
BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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Article
PubMed
48n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal aromatase using 7-methoxy-4-trifluoromethylcoumarin as substrate by Lineweaver-Burk plot analysis


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435004
PNG
(CHEMBL2386284)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-
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442n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal aromatase using 7-methoxy-4-trifluoromethylcoumarin as substrate by Lineweaver-Burk plot analysis


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435004
PNG
(CHEMBL2386284)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-
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442n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal aromatase using 7-methoxy-4-trifluoromethylcoumarin as substrate by Lineweaver-Burk plot analysis


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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n/an/a 77n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal aromatase-mediated 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxytrifluoromethylcoumarin prei...


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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PubMed
n/an/a 90n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant placental aromatase


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435004
PNG
(CHEMBL2386284)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-
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PubMed
n/an/a 90n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant placental aromatase


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435004
PNG
(CHEMBL2386284)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-
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PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal aromatase-mediated 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxytrifluoromethylcoumarin prei...


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435004
PNG
(CHEMBL2386284)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-
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PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal aromatase-mediated 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxytrifluoromethylcoumarin prei...


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435003
PNG
(ENDOXIFEN)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant placental aromatase


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50435006
PNG
(CHEMBL2386286)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccccc1
Show InChI InChI=1S/C24H23NO3/c1-2-22(17-6-4-3-5-7-17)24(18-8-12-20(26)13-9-18)19-10-14-21(15-11-19)28-16-23(25)27/h3-15,26H,2,16H2,1H3,(H2,25,27)/b24-22-
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n/an/a 9.26E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal aromatase-mediated 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxytrifluoromethylcoumarin prei...


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50121317
PNG
(1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...)
Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
Show InChI InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3
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n/an/a 2.49E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal aromatase-mediated 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxytrifluoromethylcoumarin prei...


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 5.30E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant placental aromatase


J Med Chem 56: 4611-8 (2013)


Article DOI: 10.1021/jm400364h
BindingDB Entry DOI: 10.7270/Q2TX3GR5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%