Compile Data Set for Download or QSAR
Found 44 Enz. Inhib. hit(s) with all data for entry = 50040041
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388376(CHEMBL2057637)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(CC(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C26H25ClN4O5/c1-34-23-7-3-5-18(26(23)35-2)25-19-13-16(27)8-9-20(19)31-11-4-6-21(31)22(36-25)10-12-30-15-17(28-29-30)14-24(32)33/h3-9,11,13,15,22,25H,10,12,14H2,1-2H3,(H,32,33)/t22-,25-/m1/s1
Affinity DataIC50: 0.510nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388375(CHEMBL2057636)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(nn3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C25H23ClN4O5/c1-33-22-7-3-5-16(24(22)34-2)23-17-13-15(26)8-9-19(17)30-11-4-6-20(30)21(35-23)10-12-29-14-18(25(31)32)27-28-29/h3-9,11,13-14,21,23H,10,12H2,1-2H3,(H,31,32)/t21-,23-/m1/s1
Affinity DataIC50: 0.590nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388378(CHEMBL2057639)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(COCC(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C27H27ClN4O6/c1-35-24-7-3-5-19(27(24)36-2)26-20-13-17(28)8-9-21(20)32-11-4-6-22(32)23(38-26)10-12-31-14-18(29-30-31)15-37-16-25(33)34/h3-9,11,13-14,23,26H,10,12,15-16H2,1-2H3,(H,33,34)/t23-,26-/m1/s1
Affinity DataIC50: 0.680nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388348(CHEMBL2057952)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(COC(C)(C)C(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C29H31ClN4O6/c1-29(2,28(35)36)39-17-19-16-33(32-31-19)14-12-24-23-8-6-13-34(23)22-11-10-18(30)15-21(22)26(40-24)20-7-5-9-25(37-3)27(20)38-4/h5-11,13,15-16,24,26H,12,14,17H2,1-4H3,(H,35,36)/t24-,26-/m1/s1
Affinity DataIC50: 0.690nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388370(CHEMBL2057631)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(CC3)OCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C30H33ClN2O7/c1-37-26-7-3-5-21(30(26)38-2)29-22-17-19(31)8-9-23(22)33-14-4-6-24(33)25(40-29)10-11-27(34)32-15-12-20(13-16-32)39-18-28(35)36/h3-9,14,17,20,25,29H,10-13,15-16,18H2,1-2H3,(H,35,36)/t25-,29-/m1/s1
Affinity DataIC50: 0.800nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388377(CHEMBL2057638)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nncc3CC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C26H25ClN4O5/c1-34-23-7-3-5-18(26(23)35-2)25-19-13-16(27)8-9-20(19)30-11-4-6-21(30)22(36-25)10-12-31-17(14-24(32)33)15-28-29-31/h3-9,11,13,15,22,25H,10,12,14H2,1-2H3,(H,32,33)/t22-,25-/m1/s1
Affinity DataIC50: 0.810nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388387(CHEMBL2057961)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nnc(CCC(O)=O)n3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C26H26ClN5O5/c1-35-22-7-3-5-17(26(22)36-2)25-18-15-16(27)8-9-19(18)31-13-4-6-20(31)21(37-25)12-14-32-29-23(28-30-32)10-11-24(33)34/h3-9,13,15,21,25H,10-12,14H2,1-2H3,(H,33,34)/t21-,25-/m1/s1
Affinity DataIC50: 0.850nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388384(CHEMBL2057958)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nnc(n3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C24H22ClN5O5/c1-33-20-7-3-5-15(22(20)34-2)21-16-13-14(25)8-9-17(16)29-11-4-6-18(29)19(35-21)10-12-30-27-23(24(31)32)26-28-30/h3-9,11,13,19,21H,10,12H2,1-2H3,(H,31,32)/t19-,21-/m1/s1
Affinity DataIC50: 0.890nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388372(CHEMBL2057633)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(COCC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C31H35ClN2O7/c1-38-27-7-3-5-22(31(27)39-2)30-23-17-21(32)8-9-24(23)34-14-4-6-25(34)26(41-30)10-11-28(35)33-15-12-20(13-16-33)18-40-19-29(36)37/h3-9,14,17,20,26,30H,10-13,15-16,18-19H2,1-2H3,(H,36,37)/t26-,30-/m1/s1
Affinity DataIC50: 0.900nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388386(CHEMBL2057960)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nnnc3CC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C25H24ClN5O5/c1-34-21-7-3-5-16(25(21)35-2)24-17-13-15(26)8-9-18(17)30-11-4-6-19(30)20(36-24)10-12-31-22(14-23(32)33)27-28-29-31/h3-9,11,13,20,24H,10,12,14H2,1-2H3,(H,32,33)/t20-,24-/m1/s1
Affinity DataIC50: 1.10nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388385(CHEMBL2057959)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nnc(CC(O)=O)n3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C25H24ClN5O5/c1-34-21-7-3-5-16(25(21)35-2)24-17-13-15(26)8-9-18(17)30-11-4-6-19(30)20(36-24)10-12-31-28-22(27-29-31)14-23(32)33/h3-9,11,13,20,24H,10,12,14H2,1-2H3,(H,32,33)/t20-,24-/m1/s1
Affinity DataIC50: 1.10nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388388(CHEMBL2057962)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nnc(n3)C(C)(C)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C27H28ClN5O5/c1-27(2,26(34)35)25-29-31-33(30-25)14-12-21-20-8-6-13-32(20)19-11-10-16(28)15-18(19)23(38-21)17-7-5-9-22(36-3)24(17)37-4/h5-11,13,15,21,23H,12,14H2,1-4H3,(H,34,35)/t21-,23-/m1/s1
Affinity DataIC50: 1.10nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388358(CHEMBL2057280)
Show SMILES COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1
Affinity DataIC50: 1.30nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388380(CHEMBL2057954)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3ccc(CC(O)=O)n3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C27H26ClN3O5/c1-34-24-7-3-5-19(27(24)35-2)26-20-15-17(28)8-9-21(20)31-12-4-6-22(31)23(36-26)11-14-30-13-10-18(29-30)16-25(32)33/h3-10,12-13,15,23,26H,11,14,16H2,1-2H3,(H,32,33)/t23-,26-/m1/s1
Affinity DataIC50: 1.30nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388367(CHEMBL2057628)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC[C@@H](C3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C29H31ClN2O6/c1-36-25-9-3-7-20(28(25)37-2)27-21-16-19(30)10-11-22(21)32-15-5-8-23(32)24(38-27)12-13-26(33)31-14-4-6-18(17-31)29(34)35/h3,5,7-11,15-16,18,24,27H,4,6,12-14,17H2,1-2H3,(H,34,35)/t18-,24+,27+/m0/s1
Affinity DataIC50: 1.40nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388371(CHEMBL2057632)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(CC3)OCCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C31H35ClN2O7/c1-38-27-7-3-5-22(31(27)39-2)30-23-19-20(32)8-9-24(23)34-15-4-6-25(34)26(41-30)10-11-28(35)33-16-12-21(13-17-33)40-18-14-29(36)37/h3-9,15,19,21,26,30H,10-14,16-18H2,1-2H3,(H,36,37)/t26-,30-/m1/s1
Affinity DataIC50: 1.40nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388351(CHEMBL2057273)
Show SMILES COc1cccc(C2OC(CC(O)=O)c3ccc(Cl)n3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C22H19Cl2NO5/c1-28-17-5-3-4-13(22(17)29-2)21-14-10-12(23)6-7-15(14)25-16(8-9-19(25)24)18(30-21)11-20(26)27/h3-10,18,21H,11H2,1-2H3,(H,26,27)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388373(CHEMBL2057634)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CCOC(C3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C28H29ClN2O7/c1-35-23-7-3-5-18(27(23)36-2)26-19-15-17(29)8-9-20(19)31-12-4-6-21(31)22(38-26)10-11-25(32)30-13-14-37-24(16-30)28(33)34/h3-9,12,15,22,24,26H,10-11,13-14,16H2,1-2H3,(H,33,34)/t22-,24?,26-/m1/s1
Affinity DataIC50: 1.60nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388381(CHEMBL2057955)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nccc3CC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C27H26ClN3O5/c1-34-24-7-3-5-19(27(24)35-2)26-20-15-17(28)8-9-21(20)30-13-4-6-22(30)23(36-26)11-14-31-18(10-12-29-31)16-25(32)33/h3-10,12-13,15,23,26H,11,14,16H2,1-2H3,(H,32,33)/t23-,26-/m1/s1
Affinity DataIC50: 1.60nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388389(CHEMBL2057963)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nnc(n3)C3(CC3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C27H26ClN5O5/c1-36-22-7-3-5-17(24(22)37-2)23-18-15-16(28)8-9-19(18)32-13-4-6-20(32)21(38-23)10-14-33-30-25(29-31-33)27(11-12-27)26(34)35/h3-9,13,15,21,23H,10-12,14H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
Affinity DataIC50: 1.70nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388379(CHEMBL2057953)
Show SMILES CCC(CC)(OCc1cn(CC[C@H]2O[C@H](c3cccc(OC)c3OC)c3cc(Cl)ccc3-n3cccc23)nn1)C(O)=O
Show InChI InChI=1S/C31H35ClN4O6/c1-5-31(6-2,30(37)38)41-19-21-18-35(34-33-21)16-14-26-25-10-8-15-36(25)24-13-12-20(32)17-23(24)28(42-26)22-9-7-11-27(39-3)29(22)40-4/h7-13,15,17-18,26,28H,5-6,14,16,19H2,1-4H3,(H,37,38)/t26-,28-/m1/s1
Affinity DataIC50: 1.70nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388382(CHEMBL2057956)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C26H24ClN3O5/c1-33-23-7-3-5-18(25(23)34-2)24-19-13-17(27)8-9-20(19)30-11-4-6-21(30)22(35-24)10-12-29-15-16(14-28-29)26(31)32/h3-9,11,13-15,22,24H,10,12H2,1-2H3,(H,31,32)/t22-,24-/m1/s1
Affinity DataIC50: 2.10nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388368(CHEMBL2057629)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CC(C3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C27H27ClN2O6/c1-34-23-7-3-5-18(26(23)35-2)25-19-13-17(28)8-9-20(19)30-12-4-6-21(30)22(36-25)10-11-24(31)29-14-16(15-29)27(32)33/h3-9,12-13,16,22,25H,10-11,14-15H2,1-2H3,(H,32,33)/t22-,25-/m1/s1
Affinity DataIC50: 2.20nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388374(CHEMBL2057635)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CCN(CC(O)=O)C(=O)C3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C29H30ClN3O7/c1-38-24-7-3-5-19(29(24)39-2)28-20-15-18(30)8-9-21(20)33-12-4-6-22(33)23(40-28)10-11-25(34)31-13-14-32(17-27(36)37)26(35)16-31/h3-9,12,15,23,28H,10-11,13-14,16-17H2,1-2H3,(H,36,37)/t23-,28-/m1/s1
Affinity DataIC50: 2.20nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388362(CHEMBL2057623)
Show SMILES COc1cccc([C@H]2O[C@H](CC(=O)NCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C24H23ClN2O6/c1-31-19-7-3-5-15(24(19)32-2)23-16-11-14(25)8-9-17(16)27-10-4-6-18(27)20(33-23)12-21(28)26-13-22(29)30/h3-11,20,23H,12-13H2,1-2H3,(H,26,28)(H,29,30)/t20-,23-/m1/s1
Affinity DataIC50: 2.30nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388360(CHEMBL2057621)
Show SMILES COc1cccc([C@H]2O[C@H](CC(=O)N3CCC[C@@H](C3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C28H29ClN2O6/c1-35-23-9-3-7-19(27(23)36-2)26-20-14-18(29)10-11-21(20)31-13-5-8-22(31)24(37-26)15-25(32)30-12-4-6-17(16-30)28(33)34/h3,5,7-11,13-14,17,24,26H,4,6,12,15-16H2,1-2H3,(H,33,34)/t17-,24+,26+/m0/s1
Affinity DataIC50: 2.30nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388366(CHEMBL2057627)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C30H33ClN2O6/c1-37-26-7-3-5-21(30(26)38-2)29-22-18-20(31)8-9-23(22)33-14-4-6-24(33)25(39-29)10-11-27(34)32-15-12-19(13-16-32)17-28(35)36/h3-9,14,18-19,25,29H,10-13,15-17H2,1-2H3,(H,35,36)/t25-,29-/m1/s1
Affinity DataIC50: 2.40nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388390(CHEMBL2057964)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3nnc(COC(C)(C)C(O)=O)n3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C28H30ClN5O6/c1-28(2,27(35)36)39-16-24-30-32-34(31-24)14-12-22-21-8-6-13-33(21)20-11-10-17(29)15-19(20)25(40-22)18-7-5-9-23(37-3)26(18)38-4/h5-11,13,15,22,25H,12,14,16H2,1-4H3,(H,35,36)/t22-,25-/m1/s1
Affinity DataIC50: 2.5nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388352(CHEMBL2057272)
Show SMILES COc1cccc(C2OC(CC(=O)N3CCC(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388363(CHEMBL2057624)
Show SMILES COc1cccc([C@H]2O[C@H](CC(=O)NCCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C25H25ClN2O6/c1-32-20-7-3-5-16(25(20)33-2)24-17-13-15(26)8-9-18(17)28-12-4-6-19(28)21(34-24)14-22(29)27-11-10-23(30)31/h3-9,12-13,21,24H,10-11,14H2,1-2H3,(H,27,29)(H,30,31)/t21-,24-/m1/s1
Affinity DataIC50: 2.90nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388365(CHEMBL2057626)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C23H22ClNO5/c1-28-20-7-3-5-15(23(20)29-2)22-16-13-14(24)8-9-17(16)25-12-4-6-18(25)19(30-22)10-11-21(26)27/h3-9,12-13,19,22H,10-11H2,1-2H3,(H,26,27)/t19-,22-/m1/s1
Affinity DataIC50: 3.10nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388383(CHEMBL2057957)
Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(CC(O)=O)cn3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C27H26ClN3O5/c1-34-24-7-3-5-19(27(24)35-2)26-20-14-18(28)8-9-21(20)31-11-4-6-22(31)23(36-26)10-12-30-16-17(15-29-30)13-25(32)33/h3-9,11,14-16,23,26H,10,12-13H2,1-2H3,(H,32,33)/t23-,26-/m1/s1
Affinity DataIC50: 3.10nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388353(CHEMBL2057271)
Show SMILES COc1cccc(C2OC(CC(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C22H20ClNO5/c1-27-18-7-3-5-14(22(18)28-2)21-15-11-13(23)8-9-16(15)24-10-4-6-17(24)19(29-21)12-20(25)26/h3-11,19,21H,12H2,1-2H3,(H,25,26)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388359(CHEMBL2057281)
Show SMILES COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C28H29ClN2O6/c1-35-23-7-3-5-19(27(23)36-2)26-20-15-18(29)8-9-21(20)31-12-4-6-22(31)24(37-26)16-25(32)30-13-10-17(11-14-30)28(33)34/h3-9,12,15,17,24,26H,10-11,13-14,16H2,1-2H3,(H,33,34)/t24-,26-/m1/s1
Affinity DataIC50: 3.40nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388364(CHEMBL2057625)
Show SMILES COc1cccc([C@H]2O[C@H](CC(=O)Nc3cccc(c3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C29H25ClN2O6/c1-36-24-10-4-8-20(28(24)37-2)27-21-15-18(30)11-12-22(21)32-13-5-9-23(32)25(38-27)16-26(33)31-19-7-3-6-17(14-19)29(34)35/h3-15,25,27H,16H2,1-2H3,(H,31,33)(H,34,35)/t25-,27-/m1/s1
Affinity DataIC50: 4nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388361(CHEMBL2057622)
Show SMILES COc1cccc([C@H]2O[C@H](CC(=O)N3CCN(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C28H30ClN3O6/c1-36-23-7-3-5-19(28(23)37-2)27-20-15-18(29)8-9-21(20)32-10-4-6-22(32)24(38-27)16-25(33)31-13-11-30(12-14-31)17-26(34)35/h3-10,15,24,27H,11-14,16-17H2,1-2H3,(H,34,35)/t24-,27-/m1/s1
Affinity DataIC50: 4.30nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388369(CHEMBL2057630)
Show SMILES COc1cccc([C@H]2O[C@H](CCC(=O)N3CC(CC(O)=O)C3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C28H29ClN2O6/c1-35-24-7-3-5-19(28(24)36-2)27-20-14-18(29)8-9-21(20)31-12-4-6-22(31)23(37-27)10-11-25(32)30-15-17(16-30)13-26(33)34/h3-9,12,14,17,23,27H,10-11,13,15-16H2,1-2H3,(H,33,34)/t23-,27-/m1/s1
Affinity DataIC50: 7nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388349(CHEMBL2057275)
Show SMILES COc1cccc(C2OC(CC(O)=O)c3ccc(CN4CCOCC4)n3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C27H29ClN2O6/c1-33-23-5-3-4-19(27(23)34-2)26-20-14-17(28)6-8-21(20)30-18(16-29-10-12-35-13-11-29)7-9-22(30)24(36-26)15-25(31)32/h3-9,14,24,26H,10-13,15-16H2,1-2H3,(H,31,32)
Affinity DataIC50: 7.60nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388356(CHEMBL2057277)
Show SMILES OC(=O)CC1OC(c2cccc(Cl)c2Cl)c2cc(Cl)ccc2-n2cccc12
Show InChI InChI=1S/C20H14Cl3NO3/c21-11-6-7-15-13(9-11)20(12-3-1-4-14(22)19(12)23)27-17(10-18(25)26)16-5-2-8-24(15)16/h1-9,17,20H,10H2,(H,25,26)
Affinity DataIC50: 52nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388354(CHEMBL2057270)
Show SMILES COC(=O)CC1OC(c2cccc(OC)c2OC)c2cc(Cl)ccc2-n2cccc12
Show InChI InChI=1S/C23H22ClNO5/c1-27-19-8-4-6-15(23(19)29-3)22-16-12-14(24)9-10-17(16)25-11-5-7-18(25)20(30-22)13-21(26)28-2/h4-12,20,22H,13H2,1-3H3
Affinity DataIC50: 220nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388347(CHEMBL2057278)
Show SMILES OC(=O)CC1OC(c2cccc3OCCOc23)c2cc(Cl)ccc2-n2cccc12
Show InChI InChI=1S/C22H18ClNO5/c23-13-6-7-16-15(11-13)21(14-3-1-5-18-22(14)28-10-9-27-18)29-19(12-20(25)26)17-4-2-8-24(16)17/h1-8,11,19,21H,9-10,12H2,(H,25,26)
Affinity DataIC50: 440nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388350(CHEMBL2057274)
Show SMILES COc1cccc(C2OC(CC(O)=O)c3ccc(CN(C)C)n3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C25H27ClN2O5/c1-27(2)14-16-9-11-20-22(13-23(29)30)33-24(17-6-5-7-21(31-3)25(17)32-4)18-12-15(26)8-10-19(18)28(16)20/h5-12,22,24H,13-14H2,1-4H3,(H,29,30)
Affinity DataIC50: 540nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388357(CHEMBL2057279)
Show SMILES COc1cccc([C@@H]2O[C@@H](CC(=O)N3CCC(CC(O)=O)CC3)c3cccn3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m0/s1
Affinity DataIC50: 600nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair
TargetSqualene synthase(Rattus norvegicus)
Daiichi Sankyo Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50388355(CHEMBL2057276)
Show SMILES OC(=O)CC1OC(c2cc(Cl)ccc2-n2cccc12)c1cccc2ccccc12
Show InChI InChI=1S/C24H18ClNO3/c25-16-10-11-20-19(13-16)24(18-8-3-6-15-5-1-2-7-17(15)18)29-22(14-23(27)28)21-9-4-12-26(20)21/h1-13,22,24H,14H2,(H,27,28)
Affinity DataIC50: 600nMAssay Description:Inhibition of squalene synthase in rat hepatic cellsMore data for this Ligand-Target Pair