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Compile Data Set for Download or QSAR

Found 9 hits of kd for UniProtKB: P49638   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50481298
PNG
(CHEMBL247483)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(CO[N+]([O-])=O)c(OC(C)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C31H51NO6/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-31(8)19-17-27-28(20-36-32(34)35)29(37-26(7)33)24(5)25(6)30(27)38-31/h21-23H,9-20H2,1-8H3
PDB

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n/an/an/a 360n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50481297
PNG
(CHEMBL595636)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(CO[N+]([O-])=O)c(O)c(C)c(C)c2O1
Show InChI InChI=1S/C29H49NO5/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-26(19-34-30(32)33)27(31)23(5)24(6)28(25)35-29/h20-22,31H,8-19H2,1-7H3
PDB

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n/an/an/a 1.13E+3n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50481301
PNG
(CHEMBL391747)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)OCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H28N2O9S/c1-15-16(2)21-19(17(3)20(15)28)11-12-25(4,35-21)24(29)34-14-8-13-33-22-23(27(30)36-26-22)37(31,32)18-9-6-5-7-10-18/h5-7,9-10,28H,8,11-14H2,1-4H3
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n/an/an/a 2.19E+3n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50481302
PNG
(CHEMBL594042)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)OCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O9S/c1-14-15(2)20-18(16(3)19(14)27)10-11-24(4,34-20)23(28)33-13-12-32-21-22(26(29)35-25-21)36(30,31)17-8-6-5-7-9-17/h5-9,27H,10-13H2,1-4H3
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n/an/an/a 2.39E+3n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50458513
PNG
(Alpha Tocopherol | Aquasol E | CHEBI:18145 | E307 ...)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 |r|
Show InChI InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
PDB

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MCE
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.42E+3n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50481304
PNG
(CHEMBL391748)
Show SMILES CC(=O)Oc1c(C)c(C)c2OC(C)(CCc2c1C)C(=O)OCCCO[N+]([O-])=O
Show InChI InChI=1S/C19H25NO8/c1-11-12(2)17-15(13(3)16(11)27-14(4)21)7-8-19(5,28-17)18(22)25-9-6-10-26-20(23)24/h6-10H2,1-5H3
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n/an/an/a 4.00E+4n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50481300
PNG
(CHEMBL248495)
Show SMILES CC(=O)Oc1c(C)c(C)c2OC(C)(CCc2c1C)C(=O)NCCO[N+]([O-])=O
Show InChI InChI=1S/C18H24N2O7/c1-10-11(2)16-14(12(3)15(10)26-13(4)21)6-7-18(5,27-16)17(22)19-8-9-25-20(23)24/h6-9H2,1-5H3,(H,19,22)
PDB

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UniChem
Article
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n/an/an/a 6.00E+4n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50481303
PNG
(CHEMBL593785)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCO[N+]([O-])=O
Show InChI InChI=1S/C16H22N2O6/c1-9-10(2)14-12(11(3)13(9)19)5-6-16(4,24-14)15(20)17-7-8-23-18(21)22/h19H,5-8H2,1-4H3,(H,17,20)
PDB

UniProtKB/SwissProt

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n/an/an/a 1.08E+5n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair
Alpha-tocopherol transfer protein


(Homo sapiens)
BDBM50481299
PNG
(CHEMBL247276)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)OCCCO[N+]([O-])=O
Show InChI InChI=1S/C17H23NO7/c1-10-11(2)15-13(12(3)14(10)19)6-7-17(4,25-15)16(20)23-8-5-9-24-18(21)22/h19H,5-9H2,1-4H3
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/an/a 1.65E+5n/an/an/an/an/a



Universidad de la Rep£blica

Curated by ChEMBL


Assay Description
Displacement of NBD-Toc from human recombinant alphaTTP


Bioorg Med Chem 17: 8143-8 (2009)


Article DOI: 10.1016/j.bmc.2009.10.046
BindingDB Entry DOI: 10.7270/Q2K93BBR
More data for this
Ligand-Target Pair