Found 17 hits with Last Name = 'steeples' and Initial = 'ip' 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) | BDBM50281085
((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)OC Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)41)35(45,33(44)46-7)36(29,50-34)32(42)43)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
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
In vitro inhibitory activity of compound was measured against Candida squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
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
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281078
((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)OC)C(O)=O |TLB:40:39:34:12.13,47:39:34:12.13,THB:43:41:34:12.13,11:12:34:39.41.42| Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)46-7)35(45,32(41)42)36(29,50-34)33(43)44)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,41,42)(H,43,44)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
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
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Squalene synthase
(Rattus norvegicus) | BDBM50281084
((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)OC)C(=O)OC |TLB:40:39:34:12.13,47:39:34:12.13,THB:43:41:34:12.13,11:12:34:39.41.42| Show InChI InChI=1S/C37H50O14/c1-9-21(2)19-22(3)15-16-27(39)49-30-29(40)35(18-17-23(4)28(48-25(6)38)24(5)20-26-13-11-10-12-14-26)50-31(32(41)46-7)36(45,34(44)47-8)37(30,51-35)33(42)43/h10-16,21-22,24,28-31,40,45H,4,9,17-20H2,1-3,5-8H3,(H,42,43)/b16-15+/t21-,22+,24+,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 | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281077
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES COC(=O)[C@H]1O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:2:4:25:27.29,THB:35:34:25:27.29,28:27:25:34.4.5,36:34:25:27.29| Show InChI InChI=1S/C26H32O13/c1-13(17(37-15(3)27)14(2)12-16-8-6-5-7-9-16)10-11-24-18(28)19(29)26(39-24,23(33)34)25(35,22(31)32)20(38-24)21(30)36-4/h5-9,14,17-20,28-29,35H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)/t14-,17-,18-,19-,20-,24+,25-,26+/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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281079
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES COC(=O)[C@]1(O)[C@H](O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1([C@H](O)[C@H]2O)C(O)=O)C(O)=O Show InChI InChI=1S/C26H32O13/c1-13(17(37-15(3)27)14(2)12-16-8-6-5-7-9-16)10-11-24-18(28)19(29)26(39-24,22(32)33)25(35,23(34)36-4)20(38-24)21(30)31/h5-9,14,17-20,28-29,35H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)/t14-,17-,18-,19-,20-,24+,25-,26+/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 | 355 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281081
((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)OC)[C@@](O)([C@H](O2)C(O)=O)C(=O)OC Show InChI InChI=1S/C37H50O14/c1-9-21(2)19-22(3)15-16-27(39)49-30-29(40)35(18-17-23(4)28(48-25(6)38)24(5)20-26-13-11-10-12-14-26)50-31(32(41)42)36(45,33(43)46-7)37(30,51-35)34(44)47-8/h10-16,21-22,24,28-31,40,45H,4,9,17-20H2,1-3,5-8H3,(H,41,42)/b16-15+/t21-,22+,24+,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 | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281080
((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)OC)[C@@](O)([C@H](O2)C(=O)OC)C(=O)OC Show InChI InChI=1S/C38H52O14/c1-10-22(2)20-23(3)16-17-28(40)50-31-30(41)36(19-18-24(4)29(49-26(6)39)25(5)21-27-14-12-11-13-15-27)51-32(33(42)46-7)37(45,34(43)47-8)38(31,52-36)35(44)48-9/h11-17,22-23,25,29-32,41,45H,4,10,18-21H2,1-3,5-9H3/b17-16+/t22-,23+,25+,29+,30+,31+,32+,36-,37+,38-/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
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281074
((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)OC)[C@@](O)([C@H](O2)C(=O)OC)C(O)=O Show InChI InChI=1S/C37H50O14/c1-9-21(2)19-22(3)15-16-27(39)49-30-29(40)35(18-17-23(4)28(48-25(6)38)24(5)20-26-13-11-10-12-14-26)50-31(32(41)46-7)36(45,33(42)43)37(30,51-35)34(44)47-8/h10-16,21-22,24,28-31,40,45H,4,9,17-20H2,1-3,5-8H3,(H,42,43)/b16-15+/t21-,22+,24+,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 | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281075
((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)OC)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)41)35(45,32(42)43)36(29,50-34)33(44)46-7)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/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
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281083
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)Show SMILES COC(=O)[C@]12O[C@](CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)(O[C@H](C(O)=O)[C@@]1(O)C(O)=O)[C@H](O)[C@H]2O Show InChI InChI=1S/C26H32O13/c1-13(17(37-15(3)27)14(2)12-16-8-6-5-7-9-16)10-11-24-18(28)19(29)26(39-24,23(34)36-4)25(35,22(32)33)20(38-24)21(30)31/h5-9,14,17-20,28-29,35H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)/t14-,17-,18-,19-,20-,24+,25-,26+/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
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281073
(Squalestatin analog | [(3E,7E)-4,8,12-trimethyltri...)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]P([#8-])(=O)[#6](-[#8-])=O Show InChI InChI=1S/C17H29O5P/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-23(20,21)17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)(H,20,21)/p-2/b15-10+,16-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50059865
(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6]P([#8])(=O)[#6]P([#8])([#8])=O |w:14.13| Show InChI InChI=1S/C17H32O5P2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-23(18,19)14-24(20,21)22/h7-8,10,13,17H,5-6,9,11-12,14H2,1-4H3,(H,18,19)(H2,20,21,22)/b13-7?,16-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281076
(Squalestatin analog | {[(4E,8E)-5,9,13-trimethylte...)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]P([#8-])(=O)[#6](-[#8-])=O |w:13.13| Show InChI InChI=1S/C18H31O4P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-23(21,22)18(19)20/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,19,20)(H,21,22)/p-2/b16-10?,17-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50281082
((Hydroxy-methoxy-phosphorylmethyl)-((3E,7E)-4,8,12...)Show SMILES [#6]-[#8]P([#8-])(=O)[#6]P([#8-])(=O)[#6]=[#6]-[#6]-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] |w:10.10| Show InChI InChI=1S/C18H34O5P2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-24(19,20)15-25(21,22)23-5/h8-9,11,14,18H,6-7,10,12-13,15H2,1-5H3,(H,19,20)(H,21,22)/p-2/b14-8?,17-11+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme |
Bioorg Med Chem Lett 3: 2541-2546 (1993)
Article DOI: 10.1016/S0960-894X(01)80713-7
BindingDB Entry DOI: 10.7270/Q26Q1XQP |
More data for this
Ligand-Target Pair | |
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