Compile Data Set for Download or QSAR
Found 7 Enz. Inhib. hit(s) for PDB: 3S7S
TargetAromatase(Homo sapiens (Human))
The M. S. University of Baroda

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
Affinity DataKi:  10nMAssay Description:Competitive inhibition of human aromatase extracted from placental microsomesMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
The M. S. University of Baroda

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
Affinity DataKi:  26nMAssay Description:Irreversible inhibition of human aromatase extracted from placental microsomesMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
The M. S. University of Baroda

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
Affinity DataIC50: 43nMAssay Description:Inhibition of purified HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
The M. S. University of Baroda

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
Affinity DataIC50: 50nMAssay Description:Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
The M. S. University of Baroda

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
Affinity DataIC50: 50.1nMAssay Description:Inhibition of human placental aromatase using [3H]-1beta-androstenedione as substrate after 16 hrs by [3H]-water methodMore data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
The M. S. University of Baroda

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
Affinity DataIC50: 230nMAssay Description:Inhibition of aromatase (unknown origin)More data for this Ligand-Target Pair
TargetAromatase(Homo sapiens (Human))
The M. S. University of Baroda

Curated by ChEMBL
LigandPNGBDBM50398447(Aromasin | EXEMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
Affinity DataIC50: 900nMAssay Description:Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...More data for this Ligand-Target Pair