Found 5 hits with Last Name = 'harris' and Initial = 'gh' 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) | BDBM50038096
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O 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 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against rat squalene synthase |
Bioorg Med Chem Lett 5: 2403-2408 (1995)
Article DOI: 10.1016/0960-894X(95)00419-T
BindingDB Entry DOI: 10.7270/Q2NK3F0W |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50038118
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](O)[C@H]1O)(C(O)=O)C(O)(C(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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against rat squalene synthase |
Bioorg Med Chem Lett 5: 2403-2408 (1995)
Article DOI: 10.1016/0960-894X(95)00419-T
BindingDB Entry DOI: 10.7270/Q2NK3F0W |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50285550
(3-Carboxy-2-((E)-6,8-dimethyl-9-phenyl-non-6-enyl)...)Show SMILES CC(Cc1ccccc1)\C=C(/C)CCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C23H32O7/c1-16(13-17(2)14-18-10-6-4-7-11-18)9-5-3-8-12-19(21(26)27)23(30,22(28)29)15-20(24)25/h4,6-7,10-11,13,17,19,30H,3,5,8-9,12,14-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/b16-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against rat squalene synthase |
Bioorg Med Chem Lett 5: 2403-2408 (1995)
Article DOI: 10.1016/0960-894X(95)00419-T
BindingDB Entry DOI: 10.7270/Q2NK3F0W |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50285549
(3-Carboxy-2-((E)-6,8-dimethyl-11-phenyl-undec-10-e...)Show SMILES CC(CCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O)CC(C)C\C=C\c1ccccc1 Show InChI InChI=1S/C25H36O7/c1-18(16-19(2)11-9-14-20-12-6-4-7-13-20)10-5-3-8-15-21(23(28)29)25(32,24(30)31)17-22(26)27/h4,6-7,9,12-14,18-19,21,32H,3,5,8,10-11,15-17H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b14-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 767 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against rat squalene synthase |
Bioorg Med Chem Lett 5: 2403-2408 (1995)
Article DOI: 10.1016/0960-894X(95)00419-T
BindingDB Entry DOI: 10.7270/Q2NK3F0W |
More data for this
Ligand-Target Pair | |
Squalene synthase
(Rattus norvegicus) | BDBM50285551
(3-Carboxy-2-hexadecyl-3-hydroxy-pentanedioic acid ...)Show SMILES CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against rat squalene synthase |
Bioorg Med Chem Lett 5: 2403-2408 (1995)
Article DOI: 10.1016/0960-894X(95)00419-T
BindingDB Entry DOI: 10.7270/Q2NK3F0W |
More data for this
Ligand-Target Pair | |
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