Found 106 hits with Last Name = 'olsen' and Initial = 'k' 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 |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50240720
((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-1-(4-fluorophenyl)-...)Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371521
(EZETIMIBE)Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371519
(CHEMBL271655)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)C(=O)N(C)Cc2ccc(F)cc2)c(O)c1 Show InChI InChI=1S/C25H22F2N2O5/c1-28(14-15-6-8-16(26)9-7-15)24(31)23-22(20-11-10-19(33-2)13-21(20)30)29(25(32)34-23)18-5-3-4-17(27)12-18/h3-13,22-23,30H,14H2,1-2H3/t22-,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371538
(CHEMBL271634)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO5/c1-31-19-11-12-20(22(29)15-19)23-24(21(28)13-10-16-6-3-2-4-7-16)32-25(30)27(23)18-9-5-8-17(26)14-18/h2-9,11-12,14-15,21,23-24,28-29H,10,13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371523
(CHEMBL258358)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)C(=O)N2CCc3ccccc3C2)c(O)c1 Show InChI InChI=1S/C26H23FN2O5/c1-33-20-9-10-21(22(30)14-20)23-24(34-26(32)29(23)19-8-4-7-18(27)13-19)25(31)28-12-11-16-5-2-3-6-17(16)15-28/h2-10,13-14,23-24,30H,11-12,15H2,1H3/t23-,24+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371520
(CHEMBL257848)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2ccc(F)cc2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO5/c1-31-19-12-13-20(22(29)15-19)23-24(21(28)14-7-16-5-3-2-4-6-16)32-25(30)27(23)18-10-8-17(26)9-11-18/h2-6,8-13,15,21,23-24,28-29H,7,14H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371537
(CHEMBL402421)Show SMILES COc1cccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c1O Show InChI InChI=1S/C25H24FNO5/c1-31-21-12-6-11-19(23(21)29)22-24(20(28)14-13-16-7-3-2-4-8-16)32-25(30)27(22)18-10-5-9-17(26)15-18/h2-12,15,20,22,24,28-29H,13-14H2,1H3/t20-,22-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371542
(CHEMBL439420)Show SMILES COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(OC)cc2O)c2cccc(F)c2)c1 Show InChI InChI=1S/C25H24FNO7/c1-31-17-7-4-8-19(12-17)33-14-22(29)24-23(20-10-9-18(32-2)13-21(20)28)27(25(30)34-24)16-6-3-5-15(26)11-16/h3-13,22-24,28-29H,14H2,1-2H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371528
(CHEMBL257850)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO5/c25-16-7-9-17(10-8-16)26-22(19-12-11-18(27)14-21(19)29)23(31-24(26)30)20(28)13-6-15-4-2-1-3-5-15/h1-5,7-12,14,20,22-23,27-29H,6,13H2/t20-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371533
(CHEMBL258061)Show SMILES O[C@@H](CC[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H21F2NO4/c25-17-5-1-15(2-6-17)21(29)13-14-22-23(16-3-11-20(28)12-4-16)27(24(30)31-22)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371517
(CHEMBL256248)Show SMILES COc1cccc(CN(C)C(=O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H23FN2O5/c1-27(15-16-4-3-5-21(14-16)32-2)24(30)23-22(17-6-12-20(29)13-7-17)28(25(31)33-23)19-10-8-18(26)9-11-19/h3-14,22-23,29H,15H2,1-2H3/t22-,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371524
(CHEMBL271635)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1cccc(F)c1 Show InChI InChI=1S/C24H22FNO4/c25-18-7-4-8-19(15-18)26-22(17-10-12-20(27)13-11-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371530
(CHEMBL258143)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccccc1O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO4/c25-17-11-13-18(14-12-17)26-22(19-8-4-5-9-20(19)27)23(30-24(26)29)21(28)15-10-16-6-2-1-3-7-16/h1-9,11-14,21-23,27-28H,10,15H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371527
(CHEMBL271865)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H20F2N2O4/c1-27(14-15-2-6-17(25)7-3-15)23(30)22-21(16-4-12-20(29)13-5-16)28(24(31)32-22)19-10-8-18(26)9-11-19/h2-13,21-22,29H,14H2,1H3/t21-,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371543
(CHEMBL272091)Show SMILES COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C24H22FNO6/c1-30-19-3-2-4-20(13-19)31-14-21(28)23-22(15-5-11-18(27)12-6-15)26(24(29)32-23)17-9-7-16(25)8-10-17/h2-13,21-23,27-28H,14H2,1H3/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371534
(CHEMBL257474)Show SMILES Cc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO4/c1-16-10-12-20(22(29)14-16)23-24(21(28)13-11-17-6-3-2-4-7-17)31-25(30)27(23)19-9-5-8-18(26)15-19/h2-10,12,14-15,21,23-24,28-29H,11,13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371535
(CHEMBL257095)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1cc(F)ccc1O)c1cccc(F)c1 Show InChI InChI=1S/C24H21F2NO4/c25-16-7-4-8-18(13-16)27-22(19-14-17(26)10-12-20(19)28)23(31-24(27)30)21(29)11-9-15-5-2-1-3-6-15/h1-8,10,12-14,21-23,28-29H,9,11H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371541
(CHEMBL404200)Show SMILES O[C@H](CNc1ccc(F)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H20F2N2O4/c24-15-3-7-17(8-4-15)26-13-20(29)22-21(14-1-11-19(28)12-2-14)27(23(30)31-22)18-9-5-16(25)6-10-18/h1-12,20-22,26,28-29H,13H2/t20-,21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371536
(CHEMBL430216)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(F)cc1O)c1cccc(F)c1 Show InChI InChI=1S/C24H21F2NO4/c25-16-7-4-8-18(13-16)27-22(19-11-10-17(26)14-21(19)29)23(31-24(27)30)20(28)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,20,22-23,28-29H,9,12H2/t20-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371529
(CHEMBL271856)Show SMILES O[C@H](COc1ccc(F)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H19F2NO5/c24-15-3-7-17(8-4-15)26-21(14-1-9-18(27)10-2-14)22(31-23(26)29)20(28)13-30-19-11-5-16(25)6-12-19/h1-12,20-22,27-28H,13H2/t20-,21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371546
(CHEMBL429751)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)COc2ccc(F)cc2)c(O)c1 Show InChI InChI=1S/C24H21F2NO6/c1-31-18-9-10-19(20(28)12-18)22-23(21(29)13-32-17-7-5-14(25)6-8-17)33-24(30)27(22)16-4-2-3-15(26)11-16/h2-12,21-23,28-29H,13H2,1H3/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371526
(CHEMBL270155)Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](OC(=O)N1c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C23H18F2N2O4/c24-16-5-1-14(2-6-16)13-26-22(29)21-20(15-3-11-19(28)12-4-15)27(23(30)31-21)18-9-7-17(25)8-10-18/h1-12,20-21,28H,13H2,(H,26,29)/t20-,21+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371516
(CHEMBL442973)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1cccc(O)c1)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO4/c25-18-10-12-19(13-11-18)26-22(17-7-4-8-20(27)15-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371545
(CHEMBL403245)Show SMILES O[C@H](COc1ccc(Cl)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H19ClFNO5/c24-15-3-11-19(12-4-15)30-13-20(28)22-21(14-1-9-18(27)10-2-14)26(23(29)31-22)17-7-5-16(25)6-8-17/h1-12,20-22,27-28H,13H2/t20-,21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371547
(CHEMBL436647)Show SMILES COc1ccc(cc1)[C@@H]1[C@@H](CCCc2ccccc2)OC(=O)N1c1ccc(OC)cc1 Show InChI InChI=1S/C26H27NO4/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)31-26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371544
(CHEMBL272303)Show SMILES COc1ccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H22FNO6/c1-30-19-10-12-20(13-11-19)31-14-21(28)23-22(15-2-8-18(27)9-3-15)26(24(29)32-23)17-6-4-16(25)5-7-17/h2-13,21-23,27-28H,14H2,1H3/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371540
(CHEMBL255524)Show SMILES COc1ccc(O)c(c1)[C@@H]1[C@H](OC(=O)N1c1cccc(F)c1)[C@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H24FNO5/c1-31-19-11-13-21(28)20(15-19)23-24(22(29)12-10-16-6-3-2-4-7-16)32-25(30)27(23)18-9-5-8-17(26)14-18/h2-9,11,13-15,22-24,28-29H,10,12H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371539
(CHEMBL256849)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1cccc(F)c1O)c1cccc(F)c1 Show InChI InChI=1S/C24H21F2NO4/c25-16-8-4-9-17(14-16)27-21(18-10-5-11-19(26)22(18)29)23(31-24(27)30)20(28)13-12-15-6-2-1-3-7-15/h1-11,14,20-21,23,28-29H,12-13H2/t20-,21-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371531
(CHEMBL255984)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H30FNO10/c31-18-9-11-19(12-10-18)32-22(26(42-30(32)39)21(33)15-6-16-4-2-1-3-5-16)17-7-13-20(14-8-17)40-29-25(36)23(34)24(35)27(41-29)28(37)38/h1-5,7-14,21-27,29,33-36H,6,15H2,(H,37,38)/t21-,22-,23+,24+,25-,26-,27+,29-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371525
(CHEMBL257076)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccccc1F Show InChI InChI=1S/C24H22FNO4/c25-19-8-4-5-9-20(19)26-22(17-11-13-18(27)14-12-17)23(30-24(26)29)21(28)15-10-16-6-2-1-3-7-16/h1-9,11-14,21-23,27-28H,10,15H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371522
(CHEMBL257849)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2ccc(F)cc2)[C@H](O)CCc2ccccc2)c(OC)c1 Show InChI InChI=1S/C26H26FNO5/c1-31-20-13-14-21(23(16-20)32-2)24-25(22(29)15-8-17-6-4-3-5-7-17)33-26(30)28(24)19-11-9-18(27)10-12-19/h3-7,9-14,16,22,24-25,29H,8,15H2,1-2H3/t22-,24-,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371518
(CHEMBL402308)Show SMILES Oc1ccc(cc1)[C@@H]1[C@@H](CNC(=O)c2ccc(F)cc2)OC(=O)N1c1ccc(F)cc1 Show InChI InChI=1S/C23H18F2N2O4/c24-16-5-1-15(2-6-16)22(29)26-13-20-21(14-3-11-19(28)12-4-14)27(23(30)31-20)18-9-7-17(25)8-10-18/h1-12,20-21,28H,13H2,(H,26,29)/t20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371532
(CHEMBL445414)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO4/c25-18-9-11-19(12-10-18)26-22(17-7-13-20(27)14-8-17)23(30-24(26)29)21(28)15-6-16-4-2-1-3-5-16/h1-5,7-14,21-23,27-28H,6,15H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215692
(CHEMBL400874 | sodium (3R,5R)-7-(5-((4-cyanobenzyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccc(cc1)C#N)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C35H36FN3O5/c1-22(2)39-30(17-16-28(40)18-29(41)19-31(42)43)32(26-12-14-27(36)15-13-26)33(25-6-4-3-5-7-25)34(39)35(44)38-21-24-10-8-23(20-37)9-11-24/h3-15,22,28-29,40-41H,16-19,21H2,1-2H3,(H,38,44)(H,42,43)/p-1/t28-,29-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215689
(CHEMBL250317 | sodium (3R,5R)-7-(5-((4-carbamoylph...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)C(N)=O)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C34H36FN3O6/c1-20(2)38-28(17-16-26(39)18-27(40)19-29(41)42)30(22-8-12-24(35)13-9-22)31(21-6-4-3-5-7-21)32(38)34(44)37-25-14-10-23(11-15-25)33(36)43/h3-15,20,26-27,39-40H,16-19H2,1-2H3,(H2,36,43)(H,37,44)(H,41,42)/p-1/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215693
(CHEMBL437774 | sodium (3R,5R)-7-(5-((4-carboxyphen...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(cc1)C(O)=O)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C34H35FN2O7/c1-20(2)37-28(17-16-26(38)18-27(39)19-29(40)41)30(22-8-12-24(35)13-9-22)31(21-6-4-3-5-7-21)32(37)33(42)36-25-14-10-23(11-15-25)34(43)44/h3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41)(H,43,44)/p-1/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215688
(CHEMBL399773 | sodium (3R,5R)-7-(5-((3-(dimethylca...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1cccc(c1)C(=O)N(C)C)-c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C36H39F2N3O6/c1-21(2)41-30(17-16-28(42)19-29(43)20-31(44)45)32(22-8-12-25(37)13-9-22)33(23-10-14-26(38)15-11-23)34(41)35(46)39-27-7-5-6-24(18-27)36(47)40(3)4/h5-15,18,21,28-29,42-43H,16-17,19-20H2,1-4H3,(H,39,46)(H,44,45)/p-1/t28-,29-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215700
(CHEMBL400973 | sodium (3R,5R)-7-(3-(4-fluorophenyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccc(O)cc1)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H35FN2O6/c1-20(2)36-28(17-16-26(38)18-27(39)19-29(40)41)30(22-8-10-23(34)11-9-22)31(21-6-4-3-5-7-21)32(36)33(42)35-24-12-14-25(37)15-13-24/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/p-1/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215704
(CHEMBL398551 | sodium (3R,5R)-7-(5-(((1,5-dimethyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1cc(C)n(C)n1)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H39FN4O5/c1-20(2)38-28(15-14-26(39)17-27(40)18-29(41)42)30(23-10-12-24(34)13-11-23)31(22-8-6-5-7-9-22)32(38)33(43)35-19-25-16-21(3)37(4)36-25/h5-13,16,20,26-27,39-40H,14-15,17-19H2,1-4H3,(H,35,43)(H,41,42)/p-1/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215699
(CHEMBL400747 | sodium (3R,5R)-7-(3,4-bis(4-fluorop...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1cccc(O)c1)-c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H34F2N2O6/c1-19(2)37-28(15-14-26(39)17-27(40)18-29(41)42)30(20-6-10-22(34)11-7-20)31(21-8-12-23(35)13-9-21)32(37)33(43)36-24-4-3-5-25(38)16-24/h3-13,16,19,26-27,38-40H,14-15,17-18H2,1-2H3,(H,36,43)(H,41,42)/p-1/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215707
(CHEMBL250749 | sodium (3R,5R)-7-(5-((4-(methoxymet...)Show SMILES COCc1ccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C36H41FN2O6/c1-23(2)39-31(18-17-29(40)19-30(41)20-32(42)43)33(27-13-15-28(37)16-14-27)34(26-7-5-4-6-8-26)35(39)36(44)38-21-24-9-11-25(12-10-24)22-45-3/h4-16,23,29-30,40-41H,17-22H2,1-3H3,(H,38,44)(H,42,43)/p-1/t29-,30-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215684
(CHEMBL398240 | sodium (3R,5R)-7-(3-(4-fluorophenyl...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccn1)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H36FN3O5/c1-21(2)37-28(16-15-26(38)18-27(39)19-29(40)41)30(23-11-13-24(34)14-12-23)31(22-8-4-3-5-9-22)32(37)33(42)36-20-25-10-6-7-17-35-25/h3-14,17,21,26-27,38-39H,15-16,18-20H2,1-2H3,(H,36,42)(H,40,41)/p-1/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215690
(CHEMBL399313 | sodium (3R,5R)-7-(5-(benzylcarbamoy...)Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccc1)-c1ccccc1)-c1ccc(F)cc1 Show InChI InChI=1S/C34H37FN2O5/c1-22(2)37-29(18-17-27(38)19-28(39)20-30(40)41)31(25-13-15-26(35)16-14-25)32(24-11-7-4-8-12-24)33(37)34(42)36-21-23-9-5-3-6-10-23/h3-16,22,27-28,38-39H,17-21H2,1-2H3,(H,36,42)(H,40,41)/p-1/t27-,28-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Homo sapiens (Human)) | BDBM50215708
(CHEMBL249724 | sodium (3R,5R)-7-(5-((4-methoxybenz...)Show SMILES COc1ccc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n2C(C)C)-c2ccc(F)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C35H39FN2O6/c1-22(2)38-30(18-15-27(39)19-28(40)20-31(41)42)32(25-11-13-26(36)14-12-25)33(24-7-5-4-6-8-24)34(38)35(43)37-21-23-9-16-29(44-3)17-10-23/h4-14,16-17,22,27-28,39-40H,15,18-21H2,1-3H3,(H,37,43)(H,41,42)/p-1/t27-,28-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase |
Bioorg Med Chem Lett 17: 4538-44 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.096 BindingDB Entry DOI: 10.7270/Q2SJ1K9Q |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM18382
(Alkyl substituted pyrrole compound, 29f | disodium...)Show SMILES CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(cc1)C([O-])=O)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H33FN2O7/c1-3-32-24(13-12-22(33)14-23(34)15-25(35)36)26(19-8-10-21(30)11-9-19)17(2)27(32)28(37)31-16-18-4-6-20(7-5-18)29(38)39/h4-11,22-23,33-34H,3,12-16H2,1-2H3,(H,31,37)(H,35,36)(H,38,39)/p-2/t22-,23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | 7.2 | 37 |
Pfizer
| Assay Description Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source... |
Bioorg Med Chem 15: 5576-89 (2007)
Article DOI: 10.1016/j.bmc.2007.05.031 BindingDB Entry DOI: 10.7270/Q23J3B7G |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM18425
((3R,5R)-7-[1-(4-fluorophenyl)-3-{[(4-methylphenyl)...)Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H34FN3O5/c1-17(2)26-24(13-12-22(33)14-23(34)15-25(35)36)32(21-10-8-20(29)9-11-21)31-27(26)28(37)30-16-19-6-4-18(3)5-7-19/h4-11,17,22-23,33-34H,12-16H2,1-3H3,(H,30,37)(H,35,36)/t22-,23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat... |
Bioorg Med Chem Lett 21: 2725-31 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.103 BindingDB Entry DOI: 10.7270/Q2H995J1 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50346282
(CHEMBL1782555 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)Show SMILES COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)cc1 |r| Show InChI InChI=1S/C28H32FN3O6/c1-38-23-10-2-17(3-11-23)16-30-28(37)25-26(18-4-5-18)32(13-12-21(33)14-22(34)15-24(35)36)27(31-25)19-6-8-20(29)9-7-19/h2-3,6-11,18,21-22,33-34H,4-5,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat... |
Bioorg Med Chem Lett 21: 2725-31 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.103 BindingDB Entry DOI: 10.7270/Q2H995J1 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50346283
(CHEMBL1782556 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...)Show SMILES COc1cccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)c1 |r| Show InChI InChI=1S/C28H32FN3O6/c1-38-23-4-2-3-17(13-23)16-30-28(37)25-26(18-5-6-18)32(12-11-21(33)14-22(34)15-24(35)36)27(31-25)19-7-9-20(29)10-8-19/h2-4,7-10,13,18,21-22,33-34H,5-6,11-12,14-16H2,1H3,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat... |
Bioorg Med Chem Lett 21: 2725-31 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.103 BindingDB Entry DOI: 10.7270/Q2H995J1 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50346286
(CHEMBL1782559 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)Show SMILES O[C@H](CCn1c(nc(C(=O)NCc2cccc(F)c2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r| Show InChI InChI=1S/C27H29F2N3O5/c28-19-8-6-18(7-9-19)26-31-24(27(37)30-15-16-2-1-3-20(29)12-16)25(17-4-5-17)32(26)11-10-21(33)13-22(34)14-23(35)36/h1-3,6-9,12,17,21-22,33-34H,4-5,10-11,13-15H2,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat... |
Bioorg Med Chem Lett 21: 2725-31 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.103 BindingDB Entry DOI: 10.7270/Q2H995J1 |
More data for this Ligand-Target Pair | |
3-hydroxy-3-methylglutaryl-coenzyme A reductase
(Rattus norvegicus (rat)) | BDBM50346288
(CHEMBL1782560 | sodium(3R,5R)-7-(5-cyclopropyl-4-(...)Show SMILES O[C@H](CCn1c(nc(C(=O)NCc2ccc(F)c(F)c2)c1C1CC1)-c1ccc(F)cc1)C[C@@H](O)CC([O-])=O |r| Show InChI InChI=1S/C27H28F3N3O5/c28-18-6-4-17(5-7-18)26-32-24(27(38)31-14-15-1-8-21(29)22(30)11-15)25(16-2-3-16)33(26)10-9-19(34)12-20(35)13-23(36)37/h1,4-8,11,16,19-20,34-35H,2-3,9-10,12-14H2,(H,31,38)(H,36,37)/p-1/t19-,20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat... |
Bioorg Med Chem Lett 21: 2725-31 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.103 BindingDB Entry DOI: 10.7270/Q2H995J1 |
More data for this Ligand-Target Pair | |