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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'floyd' and Initial = 'ee'   
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))
BDBM50010070
PNG
(CHEMBL3245357)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)Sc1ccc(N)cc1 |r,t:18|
Show InChI InChI=1S/C25H31NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14,26H2,1-2H3/t19-,20-,21+,23-,24-,25-/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...


J Med Chem 21: 1007-11 (1979)


BindingDB Entry DOI: 10.7270/Q2ZK5J6C
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50010069
PNG
(CHEMBL3245356)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccc(OC)cc1 |r,t:18|
Show InChI InChI=1S/C27H34O3S/c1-26-12-10-19(28)14-18(26)15-23(31-16-17-4-6-20(30-3)7-5-17)25-21-8-9-24(29)27(21,2)13-11-22(25)26/h4-7,14,21-23,25H,8-13,15-16H2,1-3H3/t21-,22-,23+,25-,26-,27-/m0/s1
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...


J Med Chem 21: 1007-11 (1979)


BindingDB Entry DOI: 10.7270/Q2ZK5J6C
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50010067
PNG
(CHEMBL3245348)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCCC |r,t:18|
Show InChI InChI=1S/C23H34O2S/c1-4-5-12-26-19-14-15-13-16(24)8-10-22(15,2)18-9-11-23(3)17(21(18)19)6-7-20(23)25/h13,17-19,21H,4-12,14H2,1-3H3/t17-,18-,19+,21-,22-,23-/m0/s1
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57n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...


J Med Chem 21: 1007-11 (1979)


BindingDB Entry DOI: 10.7270/Q2ZK5J6C
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50010068
PNG
(CHEMBL3245353)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCCc1ccccc1 |r,t:18|
Show InChI InChI=1S/C27H34O2S/c1-26-13-10-20(28)16-19(26)17-23(30-15-12-18-6-4-3-5-7-18)25-21-8-9-24(29)27(21,2)14-11-22(25)26/h3-7,16,21-23,25H,8-15,17H2,1-2H3/t21-,22-,23+,25-,26-,27-/m0/s1
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62n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...


J Med Chem 21: 1007-11 (1979)


BindingDB Entry DOI: 10.7270/Q2ZK5J6C
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50010071
PNG
(CHEMBL3245350)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)SCc1ccccc1 |r,t:18|
Show InChI InChI=1S/C26H32O2S/c1-25-12-10-19(27)14-18(25)15-22(29-16-17-6-4-3-5-7-17)24-20-8-9-23(28)26(20,2)13-11-21(24)25/h3-7,14,20-22,24H,8-13,15-16H2,1-2H3/t20-,21-,22+,24-,25-,26-/m0/s1
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69n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstene...


J Med Chem 21: 1007-11 (1979)


BindingDB Entry DOI: 10.7270/Q2ZK5J6C
More data for this
Ligand-Target Pair