Found 539 hits with Last Name = 'sorenson' and Initial = 'r' 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 |
|---|
6-phosphogluconate dehydrogenase, decarboxylating
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) | BDBM50148767
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) | BDBM50148780
(((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...)Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
6-phosphogluconate dehydrogenase, decarboxylating
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) | BDBM50148765
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | |
Glucose-6-phosphate isomerase
(Oryctolagus cuniculus) | BDBM50342610
((2R,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo...)Show SMILES ONC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O |r| Show InChI InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1 | PDB
MMDB
KEGG
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| CHEMBL
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PC sid
PDB
UniChem
| MMDB
PDB
Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of rabbit cytosolic phosphoglucose isomerase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
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| 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
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MCE
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PC sid
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| 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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Ovis aries) | BDBM50148765
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of sheep 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
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
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PC sid
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| 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 | |
6-phosphogluconate dehydrogenase, decarboxylating
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1)) | BDBM50148769
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1 | PDB
MMDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
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
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| CHEMBL
PC cid
PC sid
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| 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
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| CHEMBL
PC cid
PC sid
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| 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 | |
Triosephosphate isomerase
(Homo sapiens (Human)) | BDBM50167777
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8) | PDB
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antibodypedia
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| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Triosephosphate isomerase |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
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
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PC cid
PC sid
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| 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
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PC cid
PC sid
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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
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| 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
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| 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
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| 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) | 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
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PC cid
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| 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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 | |
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) | 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) | 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) | 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 | |
Ribose-5-phosphate isomerase B
(Mycobacterium tuberculosis) | BDBM50148767
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis rpiB |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ribose-5-phosphate isomerase B
(Mycobacterium tuberculosis) | BDBM50148767
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis rpiB |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Ribose-5-phosphate isomerase B
(Mycobacterium tuberculosis) | BDBM50148769
((R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihy...)Show InChI InChI=1S/C4H10NO7P/c5-4(8)3(7)2(6)1-12-13(9,10)11/h2-3,6-7H,1H2,(H2,5,8)(H2,9,10,11)/t2-,3-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis rpiB |
Bioorg Med Chem Lett 21: 2679-82 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K |
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)) | 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)) | 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)) | 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)) | 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 | |
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