Found 17 hits of ic50 for UniProtKB: P18886 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50122839
(CHEMBL106227 | [3-Carboxy-2-(3-tetradecyl-ureido)-...)Show SMILES CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C Show InChI InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1 | PDB
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Article
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403034
(CHEMBL2114397)Show InChI InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1 | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CPT2 in 24 hrs fasted rat liver mitochondria assessed as palmitoylcarnitine oxidation by radiometry |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403040
(CHEMBL2216779)Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29) | PDB
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| Article
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| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403034
(CHEMBL2114397)Show InChI InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1 | PDB
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| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403046
(CHEMBL2216772)Show SMILES CCCCc1ccc(NC(=O)OCCN2CCCCC2CC(C2CCCCC2)C2CCCCC2)cc1 Show InChI InChI=1S/C32H52N2O2/c1-2-3-12-26-18-20-29(21-19-26)33-32(35)36-24-23-34-22-11-10-17-30(34)25-31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h18-21,27-28,30-31H,2-17,22-25H2,1H3,(H,33,35) | PDB
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| Article
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403038
(CHEMBL2216777)Show SMILES COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(cc12)C(=O)Nc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30) | PDB
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| n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403043
(CHEMBL2216780)Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 Show InChI InChI=1S/C20H14Cl2N2O5S/c21-17-9-8-16(11-18(17)22)30(28,29)24-15-3-1-2-13(10-15)19(25)23-14-6-4-12(5-7-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27) | PDB
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| n/a | n/a | 2.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403037
(CHEMBL2216774)Show SMILES O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1 |r| Show InChI InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1 | PDB
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| n/a | n/a | 3.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50046145
(2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...)Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1 Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1 | PDB
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| Article
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| n/a | n/a | 4.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 using [3H]carnitine by radiometric assay |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50046145
(2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...)Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1 Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 4.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 using [3H]carnitine by radiometric assay |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM61402
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2 | PDB
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| n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CPT2 in rat mitochondria using [3H]carnitine by radiometric method |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403031
(CHEMBL2216771)Show InChI InChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM22984
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r| Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 in rat mitochondria |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50118093
((4-Hydroxy-phenyl)-oxo-acetic acid | CHEMBL129918)Show InChI InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403039
(CHEMBL2216778)Show SMILES COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O Show InChI InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403041
(CHEMBL2216776)Show SMILES FC(F)(F)c1cccc(Cn2nc(C(=O)NCc3cccs3)c3ccccc23)c1 Show InChI InChI=1S/C21H16F3N3OS/c22-21(23,24)15-6-3-5-14(11-15)13-27-18-9-2-1-8-17(18)19(26-27)20(28)25-12-16-7-4-10-29-16/h1-11H,12-13H2,(H,25,28) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
Carnitine O-palmitoyltransferase 2, mitochondrial
(Rattus norvegicus) | BDBM50403042
(CHEMBL2216775)Show SMILES COc1ccc(cc1)-c1noc(n1)[C@H]1CCCCN1C(=O)COc1ccccc1 |r| Show InChI InChI=1S/C22H23N3O4/c1-27-17-12-10-16(11-13-17)21-23-22(29-24-21)19-9-5-6-14-25(19)20(26)15-28-18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3/t19-/m1/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat CPT2 |
J Med Chem 54: 3109-52 (2011)
Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ |
More data for this
Ligand-Target Pair | |
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