Compile Data Set for Download or QSAR
Found 36 Enz. Inhib. hit(s) with all data for entry = 50000313
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50245999(CHEMBL4084502)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
Affinity DataIC50: 0.520nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50245999(CHEMBL4084502)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H12ClFN2O2/c1-10-16(12-2-4-14(19)5-3-12)23-17(22)21(10)15-7-11(9-20)6-13(18)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50245998(CHEMBL4064555)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1
Affinity DataIC50: 1.5nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50245998(CHEMBL4064555)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN3O2/c1-11-17(14-2-4-15(19)5-3-14)24-18(23)22(11)16-7-12(9-20)6-13(8-16)10-21/h2-8,11,17H,1H3/t11-,17+/m0/s1
Affinity DataIC50: 1.5nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246049(CHEMBL4102458)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
Affinity DataIC50: 3.70nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246049(CHEMBL4102458)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H12F2N2O2/c1-10-16(12-2-4-13(18)5-3-12)23-17(22)21(10)15-7-11(9-20)6-14(19)8-15/h2-8,10,16H,1H3/t10-,16+/m0/s1
Affinity DataIC50: 4nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246023(CHEMBL4060775)
Show SMILES COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3
Affinity DataIC50: 4.10nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246000(CHEMBL4070383)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1
Affinity DataIC50: 5.30nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246023(CHEMBL4060775)
Show SMILES COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3
Affinity DataIC50: 8.5nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246000(CHEMBL4070383)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1
Affinity DataIC50: 8.70nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246000(CHEMBL4070383)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1
Affinity DataIC50: 8.90nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246076(CHEMBL4063561)
Show SMILES Oc1cc(CN2CC(OC2=O)c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2NO3/c17-12-7-13(18)14(20)6-11(12)8-19-9-15(22-16(19)21)10-4-2-1-3-5-10/h1-7,15,20H,8-9H2
Affinity DataIC50: 12nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246000(CHEMBL4070383)
Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m0/s1
Affinity DataIC50: 13nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246045(CHEMBL4090490)
Show SMILES COc1ccc(OC)c(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3
Affinity DataIC50: 13nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246045(CHEMBL4090490)
Show SMILES COc1ccc(OC)c(c1)N1CC(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3
Affinity DataIC50: 18nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246007(CHEMBL4104260)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClFNO2/c16-11-2-1-3-13(8-11)18-9-14(20-15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2
Affinity DataIC50: 23nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50245997(CHEMBL4072166)
Show SMILES Cn1c2ccccc2n(Cc2cc(O)c(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C15H12Cl2N2O2/c1-18-12-4-2-3-5-13(12)19(15(18)21)8-9-6-14(20)11(17)7-10(9)16/h2-7,20H,8H2,1H3
Affinity DataIC50: 39nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246047(CHEMBL4097127)
Show SMILES CCn1cc(C(=O)N(C)C(C)c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C20H21FN2O/c1-4-23-13-18(17-7-5-6-8-19(17)23)20(24)22(3)14(2)15-9-11-16(21)12-10-15/h5-14H,4H2,1-3H3
Affinity DataIC50: 47nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246065(CHEMBL4066595)
Show SMILES Fc1ccc(cc1)[C@H]1CN(C(=O)O1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2/t15-/m1/s1
Affinity DataIC50: 49nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246022(CHEMBL4080025)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(F)c1
Show InChI InChI=1S/C15H11F2NO2/c16-11-6-4-10(5-7-11)14-9-18(15(19)20-14)13-3-1-2-12(17)8-13/h1-8,14H,9H2
Affinity DataIC50: 51nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246007(CHEMBL4104260)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClFNO2/c16-11-2-1-3-13(8-11)18-9-14(20-15(18)19)10-4-6-12(17)7-5-10/h1-8,14H,9H2
Affinity DataIC50: 55nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246065(CHEMBL4066595)
Show SMILES Fc1ccc(cc1)[C@H]1CN(C(=O)O1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2/t15-/m1/s1
Affinity DataIC50: 60nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246006(CHEMBL4087912)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2
Affinity DataIC50: 78nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246046(CHEMBL4069465)
Show SMILES Fc1ccc(cc1)C1CN(Cc2ccc(Cl)cc2Cl)C(=O)O1
Show InChI InChI=1S/C16H12Cl2FNO2/c17-12-4-1-11(14(18)7-12)8-20-9-15(22-16(20)21)10-2-5-13(19)6-3-10/h1-7,15H,8-9H2
Affinity DataIC50: 79nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246046(CHEMBL4069465)
Show SMILES Fc1ccc(cc1)C1CN(Cc2ccc(Cl)cc2Cl)C(=O)O1
Show InChI InChI=1S/C16H12Cl2FNO2/c17-12-4-1-11(14(18)7-12)8-20-9-15(22-16(20)21)10-2-5-13(19)6-3-10/h1-7,15H,8-9H2
Affinity DataIC50: 150nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246066(CHEMBL4085437)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1ccccc1
Show InChI InChI=1S/C15H12FNO2/c16-12-8-6-11(7-9-12)14-10-17(15(18)19-14)13-4-2-1-3-5-13/h1-9,14H,10H2
Affinity DataIC50: 150nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246006(CHEMBL4087912)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2
Affinity DataIC50: 170nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246022(CHEMBL4080025)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(F)c1
Show InChI InChI=1S/C15H11F2NO2/c16-11-6-4-10(5-7-11)14-9-18(15(19)20-14)13-3-1-2-12(17)8-13/h1-8,14H,9H2
Affinity DataIC50: 170nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246066(CHEMBL4085437)
Show SMILES Fc1ccc(cc1)C1CN(C(=O)O1)c1ccccc1
Show InChI InChI=1S/C15H12FNO2/c16-12-8-6-11(7-9-12)14-10-17(15(18)19-14)13-4-2-1-3-5-13/h1-9,14H,10H2
Affinity DataIC50: 190nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246048(CHEMBL4079106)
Show SMILES COc1ccc(CN(C)C(=O)c2ccc3OCOc3c2)c(OC)c1
Show InChI InChI=1S/C18H19NO5/c1-19(10-13-4-6-14(21-2)9-16(13)22-3)18(20)12-5-7-15-17(8-12)24-11-23-15/h4-9H,10-11H2,1-3H3
Affinity DataIC50: 310nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50245996(CHEMBL4091399)
Show SMILES COc1ccc(OC)c(c1)N1CCN(C(C)C1=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O4/c1-13-19(24)23(17-12-16(26-2)8-9-18(17)27-3)11-10-22(13)20(25)14-4-6-15(21)7-5-14/h4-9,12-13H,10-11H2,1-3H3
Affinity DataIC50: 360nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246063(CHEMBL4073142)
Show SMILES C[C@@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16-/m1/s1
Affinity DataIC50: 410nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246064(CHEMBL4062788)
Show SMILES CC1(C)C(OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2/c1-18(2)16(13-6-8-14(19)9-7-13)23-17(22)21(18)15-5-3-4-12(10-15)11-20/h3-10,16H,1-2H3
Affinity DataIC50: 450nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Homo sapiens (Human))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246076(CHEMBL4063561)
Show SMILES Oc1cc(CN2CC(OC2=O)c2ccccc2)c(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl2NO3/c17-12-7-13(18)14(20)6-11(12)8-19-9-15(22-16(19)21)10-4-2-1-3-5-10/h1-7,15,20H,8-9H2
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid add...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246057(CHEMBL4069792)
Show SMILES C[C@@H]1[C@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2/c1-11-16(13-5-7-14(18)8-6-13)22-17(21)20(11)15-4-2-3-12(9-15)10-19/h2-9,11,16H,1H3/t11-,16+/m1/s1
Affinity DataIC50: 5.80E+3nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair
TargetAcyl-CoA (8-3)-desaturase(Rattus norvegicus)
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50246077(CHEMBL4084463)
Show SMILES Fc1ccc(cc1)[C@@H]1CN(C(=O)O1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H11FN2O2/c17-13-6-4-12(5-7-13)15-10-19(16(20)21-15)14-3-1-2-11(8-14)9-18/h1-8,15H,10H2/t15-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 ...More data for this Ligand-Target Pair