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PubMed code 27160054

Compile data set for download or QSAR
Found 4 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))
BDBM50168058
PNG
(CHEMBL3798461)
Show SMILES [H][C@]12C[C@@]1([H])[C@]1([H])CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC2 |r|
Show InChI InChI=1S/C20H30O/c1-19-9-7-12-11-14(12)16(19)4-3-13-15-5-6-18(21)20(15,2)10-8-17(13)19/h12-17H,3-11H2,1-2H3/t12-,13-,14+,15-,16-,17-,19-,20-/m0/s1
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins b...


Bioorg Med Chem 24: 2823-31 (2016)


Article DOI: 10.1016/j.bmc.2016.04.056
BindingDB Entry DOI: 10.7270/Q2H70HRR
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50168056
PNG
(CHEMBL3799363)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,c:10,t:17|
Show InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h8,11,14-15H,3-7,9-10H2,1-2H3/t14-,15-,18-,19-/m0/s1
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Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins b...


Bioorg Med Chem 24: 2823-31 (2016)


Article DOI: 10.1016/j.bmc.2016.04.056
BindingDB Entry DOI: 10.7270/Q2H70HRR
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50123151
PNG
(CHEMBL3623223)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](CC=C)CC2=CC(=O)C=C[C@]12C |r,c:25,t:21|
Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-15-13-16(23)8-10-21(15,2)18-9-11-22(3)17(20(14)18)6-7-19(22)24/h4,8,10,13-14,17-18,20H,1,5-7,9,11-12H2,2-3H3/t14-,17+,18+,20+,21+,22+/m1/s1
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Article
PubMed
n/an/a 470n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins b...


Bioorg Med Chem 24: 2823-31 (2016)


Article DOI: 10.1016/j.bmc.2016.04.056
BindingDB Entry DOI: 10.7270/Q2H70HRR
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50168057
PNG
(CHEMBL3800417)
Show SMILES [H][C@]12CCC[C@]3(C)[C@@]4([H])CC[C@]5(C)C(=O)CC[C@@]5([H])[C@]4([H])CC[C@]13O2 |r|
Show InChI InChI=1S/C19H28O2/c1-17-10-8-14-12(13(17)5-6-15(17)20)7-11-19-16(21-19)4-3-9-18(14,19)2/h12-14,16H,3-11H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
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Article
PubMed
n/an/a 530n/an/an/an/an/an/a



University of Coimbra

Curated by ChEMBL


Assay Description
Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins b...


Bioorg Med Chem 24: 2823-31 (2016)


Article DOI: 10.1016/j.bmc.2016.04.056
BindingDB Entry DOI: 10.7270/Q2H70HRR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%