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PubMed code 24436777

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50446135
PNG
(CHEMBL3108879)
Show SMILES CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1cc(C)no1 |r|
Show InChI InChI=1S/C12H17N3O4/c1-7-3-9(19-14-7)5-11(17)15-6-8(16)4-10(15)12(18)13-2/h3,8,10,16H,4-6H2,1-2H3,(H,13,18)/t8-,10+/m1/s1
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n/an/an/a 2.40E+5n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis


ACS Med Chem Lett 5: 23-28 (2014)


Article DOI: 10.1021/ml400296c
BindingDB Entry DOI: 10.7270/Q2NK3GH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50446139
PNG
(CHEMBL3108882 | US10730870, Example 135 | US115120...)
Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)on1 |r|
Show InChI InChI=1S/C22H24N4O4S/c1-13-7-18(30-25-13)9-20(28)26-11-17(27)8-19(26)22(29)23-10-15-3-5-16(6-4-15)21-14(2)24-12-31-21/h3-7,12,17,19,27H,8-11H2,1-2H3,(H,23,29)/t17-,19+/m1/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis


ACS Med Chem Lett 5: 23-28 (2014)


Article DOI: 10.1021/ml400296c
BindingDB Entry DOI: 10.7270/Q2NK3GH1
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50446134
PNG
(CHEMBL3108877)
Show SMILES CNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O |r|
Show InChI InChI=1S/C8H14N2O3/c1-5(11)10-4-6(12)3-7(10)8(13)9-2/h6-7,12H,3-4H2,1-2H3,(H,9,13)/t6-,7+/m1/s1
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n/an/an/a 4.90E+6n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis


ACS Med Chem Lett 5: 23-28 (2014)


Article DOI: 10.1021/ml400296c
BindingDB Entry DOI: 10.7270/Q2NK3GH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50446133
PNG
(CHEMBL3108875)
Show SMILES CC(=O)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C13H14N2OS/c1-9-13(17-8-15-9)12-5-3-11(4-6-12)7-14-10(2)16/h3-6,8H,7H2,1-2H3,(H,14,16)
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n/an/an/a 2.70E+6n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis


ACS Med Chem Lett 5: 23-28 (2014)


Article DOI: 10.1021/ml400296c
BindingDB Entry DOI: 10.7270/Q2NK3GH1
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50446132
PNG
(CHEMBL3108874)
Show SMILES CC(C)NC(=O)Cc1cc(C)no1
Show InChI InChI=1S/C9H14N2O2/c1-6(2)10-9(12)5-8-4-7(3)11-13-8/h4,6H,5H2,1-3H3,(H,10,12)
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n/an/an/a 4.30E+6n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis


ACS Med Chem Lett 5: 23-28 (2014)


Article DOI: 10.1021/ml400296c
BindingDB Entry DOI: 10.7270/Q2NK3GH1
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50446136
PNG
(CHEMBL3108878)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1cnco1 |r|
Show InChI InChI=1S/C17H19N3O4/c1-11(21)20-9-14(22)6-15(20)17(23)19-7-12-2-4-13(5-3-12)16-8-18-10-24-16/h2-5,8,10,14-15,22H,6-7,9H2,1H3,(H,19,23)/t14-,15+/m1/s1
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n/an/an/a 1.50E+5n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis


ACS Med Chem Lett 5: 23-28 (2014)


Article DOI: 10.1021/ml400296c
BindingDB Entry DOI: 10.7270/Q2NK3GH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50446138
PNG
(CHEMBL3108881)
Show SMILES Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2cnco2)on1 |r|
Show InChI InChI=1S/C21H22N4O5/c1-13-6-17(30-24-13)8-20(27)25-11-16(26)7-18(25)21(28)23-9-14-2-4-15(5-3-14)19-10-22-12-29-19/h2-6,10,12,16,18,26H,7-9,11H2,1H3,(H,23,28)/t16-,18+/m1/s1
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n/an/an/a 5.50E+3n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis


ACS Med Chem Lett 5: 23-28 (2014)


Article DOI: 10.1021/ml400296c
BindingDB Entry DOI: 10.7270/Q2NK3GH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
von Hippel-Lindau disease tumor suppressor


(Homo sapiens (Human))
BDBM50446137
PNG
(CHEMBL3108880)
Show SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C |r|
Show InChI InChI=1S/C18H21N3O3S/c1-11-17(25-10-20-11)14-5-3-13(4-6-14)8-19-18(24)16-7-15(23)9-21(16)12(2)22/h3-6,10,15-16,23H,7-9H2,1-2H3,(H,19,24)/t15-,16+/m1/s1
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n/an/an/a 3.60E+4n/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis


ACS Med Chem Lett 5: 23-28 (2014)


Article DOI: 10.1021/ml400296c
BindingDB Entry DOI: 10.7270/Q2NK3GH1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%