Found 40 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Squalene synthase
(Rattus norvegicus) | BDBM50281113
(2,6-dihydroxy-7-methylcarbonyloxy-5-[3-(2-methyl-1...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(C)=O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C27H32O14/c1-13(18(38-15(3)28)14(2)12-17-8-6-5-7-9-17)10-11-25-19(30)20(39-16(4)29)27(41-25,24(35)36)26(37,23(33)34)21(40-25)22(31)32/h5-9,14,18-21,30,37H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)(H,35,36)/t14-,18-,19-,20-,21-,25+,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281106
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O15/c1-5-6-7-8-9-10-14-19-46-32(44)48-27-26(37)33(49-28(29(38)39)34(45,30(40)41)35(27,50-33)31(42)43)18-17-21(2)25(47-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,25-28,37,45H,2,5-10,14,17-20H2,1,3-4H3,(H,38,39)(H,40,41)(H,42,43)/t22-,25-,26-,27-,28-,33+,34-,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281105
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O14/c1-5-6-7-8-12-15-23(35)45-26-25(36)31(46-27(28(37)38)32(43,29(39)40)33(26,47-31)30(41)42)17-16-19(2)24(44-21(4)34)20(3)18-22-13-10-9-11-14-22/h9-11,13-14,20,24-27,36,43H,2,5-8,12,15-18H2,1,3-4H3,(H,37,38)(H,39,40)(H,41,42)/t20-,24-,25-,26-,27-,31+,32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281109
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES COC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C27H32O15/c1-13(17(39-15(3)28)14(2)12-16-8-6-5-7-9-16)10-11-25-18(29)19(40-24(36)38-4)27(42-25,23(34)35)26(37,22(32)33)20(41-25)21(30)31/h5-9,14,17-20,29,37H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)(H,34,35)/t14-,17-,18-,19-,20-,25+,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281102
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C30H38O15/c1-5-6-14-41-27(39)43-22-21(32)28(44-23(24(33)34)29(40,25(35)36)30(22,45-28)26(37)38)13-12-16(2)20(42-18(4)31)17(3)15-19-10-8-7-9-11-19/h7-11,17,20-23,32,40H,2,5-6,12-15H2,1,3-4H3,(H,33,34)(H,35,36)(H,37,38)/t17-,20-,21-,22-,23-,28+,29-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281101
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CC3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H42O14/c1-18(24(44-20(3)34)19(2)16-21-10-6-4-7-11-21)14-15-31-25(36)26(45-23(35)17-22-12-8-5-9-13-22)33(47-31,30(41)42)32(43,29(39)40)27(46-31)28(37)38/h4,6-7,10-11,19,22,24-27,36,43H,1,5,8-9,12-17H2,2-3H3,(H,37,38)(H,39,40)(H,41,42)/t19-,24-,25-,26-,27-,31+,32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281119
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)\C=C\c3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C34H36O14/c1-19(25(45-21(3)35)20(2)18-23-12-8-5-9-13-23)16-17-32-26(37)27(46-24(36)15-14-22-10-6-4-7-11-22)34(48-32,31(42)43)33(44,30(40)41)28(47-32)29(38)39/h4-15,20,25-28,37,44H,1,16-18H2,2-3H3,(H,38,39)(H,40,41)(H,42,43)/b15-14+/t20-,25-,26-,27-,28-,32+,33-,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50051873
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Squalene synthase
(Rattus norvegicus) | BDBM50051872
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281122
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C30H38O14/c1-5-6-12-20(32)42-23-22(33)28(43-24(25(34)35)29(40,26(36)37)30(23,44-28)27(38)39)14-13-16(2)21(41-18(4)31)17(3)15-19-10-8-7-9-11-19/h7-11,17,21-24,33,40H,2,5-6,12-15H2,1,3-4H3,(H,34,35)(H,36,37)(H,38,39)/t17-,21-,22-,23-,24-,28+,29-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281106
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O15/c1-5-6-7-8-9-10-14-19-46-32(44)48-27-26(37)33(49-28(29(38)39)34(45,30(40)41)35(27,50-33)31(42)43)18-17-21(2)25(47-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,25-28,37,45H,2,5-10,14,17-20H2,1,3-4H3,(H,38,39)(H,40,41)(H,42,43)/t22-,25-,26-,27-,28-,33+,34-,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281116
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CCCCCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C38H46O14/c1-23(29(49-25(3)39)24(2)22-27-17-11-7-12-18-27)20-21-36-30(41)31(50-28(40)19-13-5-4-8-14-26-15-9-6-10-16-26)38(52-36,35(46)47)37(48,34(44)45)32(51-36)33(42)43/h6-7,9-12,15-18,24,29-32,41,48H,1,4-5,8,13-14,19-22H2,2-3H3,(H,42,43)(H,44,45)(H,46,47)/t24-,29-,30-,31-,32-,36+,37-,38+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281103
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)c3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H34O14/c1-17(22(43-19(3)33)18(2)16-20-10-6-4-7-11-20)14-15-30-23(34)24(44-27(37)21-12-8-5-9-13-21)32(46-30,29(40)41)31(42,28(38)39)25(45-30)26(35)36/h4-13,18,22-25,34,42H,1,14-16H2,2-3H3,(H,35,36)(H,38,39)(H,40,41)/t18-,22-,23-,24-,25-,30+,31-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281115
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O14/c1-5-6-7-8-9-10-14-17-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)19-18-21(2)26(46-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,26-29,38,45H,2,5-10,14,17-20H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t22-,26-,27-,28-,29-,33+,34-,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281101
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CC3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H42O14/c1-18(24(44-20(3)34)19(2)16-21-10-6-4-7-11-21)14-15-31-25(36)26(45-23(35)17-22-12-8-5-9-13-22)33(47-31,30(41)42)32(43,29(39)40)27(46-31)28(37)38/h4,6-7,10-11,19,22,24-27,36,43H,1,5,8-9,12-17H2,2-3H3,(H,37,38)(H,39,40)(H,41,42)/t19-,24-,25-,26-,27-,31+,32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281103
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)c3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H34O14/c1-17(22(43-19(3)33)18(2)16-20-10-6-4-7-11-20)14-15-30-23(34)24(44-27(37)21-12-8-5-9-13-21)32(46-30,29(40)41)31(42,28(38)39)25(45-30)26(35)36/h4-13,18,22-25,34,42H,1,14-16H2,2-3H3,(H,35,36)(H,38,39)(H,40,41)/t18-,22-,23-,24-,25-,30+,31-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281102
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C30H38O15/c1-5-6-14-41-27(39)43-22-21(32)28(44-23(24(33)34)29(40,25(35)36)30(22,45-28)26(37)38)13-12-16(2)20(42-18(4)31)17(3)15-19-10-8-7-9-11-19/h7-11,17,20-23,32,40H,2,5-6,12-15H2,1,3-4H3,(H,33,34)(H,35,36)(H,37,38)/t17-,20-,21-,22-,23-,28+,29-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281116
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)CCCCCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C38H46O14/c1-23(29(49-25(3)39)24(2)22-27-17-11-7-12-18-27)20-21-36-30(41)31(50-28(40)19-13-5-4-8-14-26-15-9-6-10-16-26)38(52-36,35(46)47)37(48,34(44)45)32(51-36)33(42)43/h6-7,9-12,15-18,24,29-32,41,48H,1,4-5,8,13-14,19-22H2,2-3H3,(H,42,43)(H,44,45)(H,46,47)/t24-,29-,30-,31-,32-,36+,37-,38+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281119
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)\C=C\c3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C34H36O14/c1-19(25(45-21(3)35)20(2)18-23-12-8-5-9-13-23)16-17-32-26(37)27(46-24(36)15-14-22-10-6-4-7-11-22)34(48-32,31(42)43)33(44,30(40)41)28(47-32)29(38)39/h4-15,20,25-28,37,44H,1,16-18H2,2-3H3,(H,38,39)(H,40,41)(H,42,43)/b15-14+/t20-,25-,26-,27-,28-,32+,33-,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281104
((1S,3S,4S,5R,6R,7R)-7-Acetoxy-1-((4S,5R)-4-acetoxy...)Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C37H48O15/c1-8-20(2)18-21(3)14-15-27(40)50-30-29(49-25(7)39)35(51-31(32(41)42)36(47,33(43)44)37(30,52-35)34(45)46)17-16-22(4)28(48-24(6)38)23(5)19-26-12-10-9-11-13-26/h9-15,20-21,23,28-31,47H,4,8,16-19H2,1-3,5-7H3,(H,41,42)(H,43,44)(H,45,46)/b15-14+/t20-,21+,23+,28+,29+,30+,31+,35-,36+,37-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50051873
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Squalene synthase
(Rattus norvegicus) | BDBM50281107
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(=O)OC)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C37H48O16/c1-8-20(2)18-21(3)14-15-26(39)50-29-28(51-34(46)48-7)35(52-30(31(40)41)36(47,32(42)43)37(29,53-35)33(44)45)17-16-22(4)27(49-24(6)38)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,47H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)(H,44,45)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,35-,36+,37-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281107
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(=O)OC)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C37H48O16/c1-8-20(2)18-21(3)14-15-26(39)50-29-28(51-34(46)48-7)35(52-30(31(40)41)36(47,32(42)43)37(29,53-35)33(44)45)17-16-22(4)27(49-24(6)38)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,47H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)(H,44,45)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,35-,36+,37-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281110
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)C3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H40O14/c1-17(22(43-19(3)33)18(2)16-20-10-6-4-7-11-20)14-15-30-23(34)24(44-27(37)21-12-8-5-9-13-21)32(46-30,29(40)41)31(42,28(38)39)25(45-30)26(35)36/h4,6-7,10-11,18,21-25,34,42H,1,5,8-9,12-16H2,2-3H3,(H,35,36)(H,38,39)(H,40,41)/t18-,22-,23-,24-,25-,30+,31-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281110
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)C3CCCCC3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H40O14/c1-17(22(43-19(3)33)18(2)16-20-10-6-4-7-11-20)14-15-30-23(34)24(44-27(37)21-12-8-5-9-13-21)32(46-30,29(40)41)31(42,28(38)39)25(45-30)26(35)36/h4,6-7,10-11,18,21-25,34,42H,1,5,8-9,12-16H2,2-3H3,(H,35,36)(H,38,39)(H,40,41)/t18-,22-,23-,24-,25-,30+,31-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281122
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C30H38O14/c1-5-6-12-20(32)42-23-22(33)28(43-24(25(34)35)29(40,26(36)37)30(23,44-28)27(38)39)14-13-16(2)21(41-18(4)31)17(3)15-19-10-8-7-9-11-19/h7-11,17,21-24,33,40H,2,5-6,12-15H2,1,3-4H3,(H,34,35)(H,36,37)(H,38,39)/t17-,21-,22-,23-,24-,28+,29-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281118
((1S,3S,4S,5R,6R,7R)-6,7-Diacetoxy-1-((4S,5R)-4-ace...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(C)=O)[C@H]1OC(C)=O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C29H34O15/c1-14(20(40-16(3)30)15(2)13-19-9-7-6-8-10-19)11-12-27-21(41-17(4)31)22(42-18(5)32)29(44-27,26(37)38)28(39,25(35)36)23(43-27)24(33)34/h6-10,15,20-23,39H,1,11-13H2,2-5H3,(H,33,34)(H,35,36)(H,37,38)/t15-,20-,21-,22-,23-,27+,28-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281112
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C33H42O15/c1-6-11-22(35)45-25-26(46-23(36)12-7-2)33(30(41)42)32(43,29(39)40)27(28(37)38)47-31(25,48-33)16-15-18(3)24(44-20(5)34)19(4)17-21-13-9-8-10-14-21/h8-10,13-14,19,24-27,43H,3,6-7,11-12,15-17H2,1-2,4-5H3,(H,37,38)(H,39,40)(H,41,42)/t19-,24-,25-,26-,27-,31+,32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281112
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCC(=O)O[C@@H]1[C@@H](OC(=O)CCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C33H42O15/c1-6-11-22(35)45-25-26(46-23(36)12-7-2)33(30(41)42)32(43,29(39)40)27(28(37)38)47-31(25,48-33)16-15-18(3)24(44-20(5)34)19(4)17-21-13-9-8-10-14-21/h8-10,13-14,19,24-27,43H,3,6-7,11-12,15-17H2,1-2,4-5H3,(H,37,38)(H,39,40)(H,41,42)/t19-,24-,25-,26-,27-,31+,32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >147 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281114
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCCCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C41H58O15/c1-6-8-10-12-17-21-30(43)53-33-34(54-31(44)22-18-13-11-9-7-2)41(38(49)50)40(51,37(47)48)35(36(45)46)55-39(33,56-41)24-23-26(3)32(52-28(5)42)27(4)25-29-19-15-14-16-20-29/h14-16,19-20,27,32-35,51H,3,6-13,17-18,21-25H2,1-2,4-5H3,(H,45,46)(H,47,48)(H,49,50)/t27-,32-,33-,34-,35-,39+,40-,41+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281117
((1S,3S,4S,5R,6R,7R)-7-Acetoxy-1-((4S,5R)-4-acetoxy...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1OC(C)=O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C27H32O14/c1-13(18(38-15(3)28)14(2)12-17-8-6-5-7-9-17)10-11-25-20(39-16(4)29)19(30)27(41-25,24(35)36)26(37,23(33)34)21(40-25)22(31)32/h5-9,14,18-21,30,37H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)(H,35,36)/t14-,18-,19-,20-,21-,25+,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281111
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O14/c1-5-6-7-8-12-15-23(35)45-26-25(36)33(30(41)42)32(43,29(39)40)27(28(37)38)46-31(26,47-33)17-16-19(2)24(44-21(4)34)20(3)18-22-13-10-9-11-14-22/h9-11,13-14,20,24-27,36,43H,2,5-8,12,15-18H2,1,3-4H3,(H,37,38)(H,39,40)(H,41,42)/t20-,24-,25-,26-,27-,31+,32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281108
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C=C\[C@@H](C)C[C@@H](C)CC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C43H60O15/c1-8-10-11-12-16-19-32(45)55-35-36(56-33(46)21-20-27(4)24-26(3)9-2)43(40(51)52)42(53,39(49)50)37(38(47)48)57-41(35,58-43)23-22-28(5)34(54-30(7)44)29(6)25-31-17-14-13-15-18-31/h13-15,17-18,20-21,26-27,29,34-37,53H,5,8-12,16,19,22-25H2,1-4,6-7H3,(H,47,48)(H,49,50)(H,51,52)/b21-20+/t26-,27+,29+,34+,35+,36+,37+,41-,42+,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281121
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES COC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C27H32O15/c1-13(17(39-15(3)28)14(2)12-16-8-6-5-7-9-16)10-11-25-19(40-24(36)38-4)18(29)27(42-25,23(34)35)26(37,22(32)33)20(41-25)21(30)31/h5-9,14,17-20,29,37H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)(H,34,35)/t14-,17-,18-,19-,20-,25+,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Homo sapiens (Human)) | BDBM50281118
((1S,3S,4S,5R,6R,7R)-6,7-Diacetoxy-1-((4S,5R)-4-ace...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(C)=O)[C@H]1OC(C)=O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C29H34O15/c1-14(20(40-16(3)30)15(2)13-19-9-7-6-8-10-19)11-12-27-21(41-17(4)31)22(42-18(5)32)29(44-27,26(37)38)28(39,25(35)36)23(43-27)24(33)34/h6-10,15,20-23,39H,1,11-13H2,2-5H3,(H,33,34)(H,35,36)(H,37,38)/t15-,20-,21-,22-,23-,27+,28-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281114
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)CCCCCCC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C41H58O15/c1-6-8-10-12-17-21-30(43)53-33-34(54-31(44)22-18-13-11-9-7-2)41(38(49)50)40(51,37(47)48)35(36(45)46)55-39(33,56-41)24-23-26(3)32(52-28(5)42)27(4)25-29-19-15-14-16-20-29/h14-16,19-20,27,32-35,51H,3,6-13,17-18,21-25H2,1-2,4-5H3,(H,45,46)(H,47,48)(H,49,50)/t27-,32-,33-,34-,35-,39+,40-,41+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281120
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O14/c1-5-6-7-8-9-10-14-17-25(37)47-28-27(38)35(32(43)44)34(45,31(41)42)29(30(39)40)48-33(28,49-35)19-18-21(2)26(46-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,26-29,38,45H,2,5-10,14,17-20H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t22-,26-,27-,28-,29-,33+,34-,35+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281121
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES COC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C27H32O15/c1-13(17(39-15(3)28)14(2)12-16-8-6-5-7-9-16)10-11-25-19(40-24(36)38-4)18(29)27(42-25,23(34)35)26(37,22(32)33)20(41-25)21(30)31/h5-9,14,17-20,29,37H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)(H,34,35)/t14-,17-,18-,19-,20-,25+,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281111
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O14/c1-5-6-7-8-12-15-23(35)45-26-25(36)33(30(41)42)32(43,29(39)40)27(28(37)38)46-31(26,47-33)17-16-19(2)24(44-21(4)34)20(3)18-22-13-10-9-11-14-22/h9-11,13-14,20,24-27,36,43H,2,5-8,12,15-18H2,1,3-4H3,(H,37,38)(H,39,40)(H,41,42)/t20-,24-,25-,26-,27-,31+,32-,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281108
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)\C=C\[C@@H](C)C[C@@H](C)CC)[C@]2(O[C@]1(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1)O[C@H](C(O)=O)[C@@]2(O)C(O)=O)C(O)=O Show InChI InChI=1S/C43H60O15/c1-8-10-11-12-16-19-32(45)55-35-36(56-33(46)21-20-27(4)24-26(3)9-2)43(40(51)52)42(53,39(49)50)37(38(47)48)57-41(35,58-43)23-22-28(5)34(54-30(7)44)29(6)25-31-17-14-13-15-18-31/h13-15,17-18,20-21,26-27,29,34-37,53H,5,8-12,16,19,22-25H2,1-4,6-7H3,(H,47,48)(H,49,50)(H,51,52)/b21-20+/t26-,27+,29+,34+,35+,36+,37+,41-,42+,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver squalene synthase(SQS) |
Bioorg Med Chem Lett 3: 2605-2610 (1993)
Article DOI: 10.1016/S0960-894X(01)80724-1
BindingDB Entry DOI: 10.7270/Q20P0ZZN |
More data for this
Ligand-Target Pair | |
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