Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with all data for entry = 50020107
TargetCytochrome P450 2C9(Homo sapiens (Human))
P. Angeletti S.p.A. (Merck Research Laboratories)

Curated by ChEMBL
LigandPNGBDBM22720(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
P. Angeletti S.p.A. (Merck Research Laboratories)

Curated by ChEMBL
LigandPNGBDBM22720(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
P. Angeletti S.p.A. (Merck Research Laboratories)

Curated by ChEMBL
LigandPNGBDBM22720(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
P. Angeletti S.p.A. (Merck Research Laboratories)

Curated by ChEMBL
LigandPNGBDBM22720(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
P. Angeletti S.p.A. (Merck Research Laboratories)

Curated by ChEMBL
LigandPNGBDBM22720(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair