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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'frantz' and Initial = 'de'   
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
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426201
PNG
(CHEMBL2311945)
Show SMILES CN(C)S(=O)(=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C14H12ClFN4O3S/c1-20(2)24(21,22)14-12(4-3-11-13(14)19-23-18-11)17-10-6-8(15)5-9(16)7-10/h3-7,17H,1-2H3
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n/an/an/a 5.00E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426222
PNG
(CHEMBL2311968)
Show SMILES [O-][N+](=O)c1cc(Nc2ccc3nonc3c2[N+]([O-])=O)ccc1Cl
Show InChI InChI=1S/C12H6ClN5O5/c13-7-2-1-6(5-10(7)17(19)20)14-9-4-3-8-11(16-23-15-8)12(9)18(21)22/h1-5,14H
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n/an/an/a 1.10E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426203
PNG
(CHEMBL2311940)
Show SMILES Nc1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C12H8ClFN4O/c13-6-3-7(14)5-8(4-6)16-9-1-2-10-12(11(9)15)18-19-17-10/h1-5,16H,15H2
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n/an/an/a 6.00E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426204
PNG
(CHEMBL2311939)
Show SMILES Fc1cc(Cl)cc(Nc2ccc3nonc3c2)c1
Show InChI InChI=1S/C12H7ClFN3O/c13-7-3-8(14)5-10(4-7)15-9-1-2-11-12(6-9)17-18-16-11/h1-6,15H
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n/an/an/a 3.00E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426205
PNG
(CHEMBL2311938)
Show SMILES CN(c1cc(F)cc(Cl)c1)c1ccc2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C13H8ClFN4O3/c1-18(9-5-7(14)4-8(15)6-9)11-3-2-10-12(17-22-16-10)13(11)19(20)21/h2-6H,1H3
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426206
PNG
(CHEMBL2311935)
Show SMILES [O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nn[nH]c12
Show InChI InChI=1S/C12H7ClFN5O2/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-18-16-9)12(10)19(20)21/h1-5,15H,(H,16,17,18)
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n/an/an/a>2.00E+4n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426207
PNG
(CHEMBL2311934)
Show SMILES [O-][N+](=O)c1ccccc1Nc1cc(F)cc(Cl)c1
Show InChI InChI=1S/C12H8ClFN2O2/c13-8-5-9(14)7-10(6-8)15-11-3-1-2-4-12(11)16(17)18/h1-7,15H
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n/an/an/a 4.30E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426208
PNG
(CHEMBL2311933)
Show SMILES [O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H
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n/an/an/a 90n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426209
PNG
(CHEMBL2311932)
Show SMILES [O-][N+](=O)c1c(Nc2ccc(Cl)c(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C12H6Cl2N4O3/c13-7-2-1-6(5-8(7)14)15-10-4-3-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H
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n/an/an/a 170n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426210
PNG
(CHEMBL2311931)
Show SMILES [O-][N+](=O)c1c(Nc2cc(F)cc(F)c2)ccc2nonc12
Show InChI InChI=1S/C12H6F2N4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H
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n/an/an/a 730n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426211
PNG
(CHEMBL2311930)
Show SMILES [O-][N+](=O)c1c(Nc2cc(F)cc(c2)C(F)(F)F)ccc2nonc12
Show InChI InChI=1S/C13H6F4N4O3/c14-7-3-6(13(15,16)17)4-8(5-7)18-10-2-1-9-11(20-24-19-9)12(10)21(22)23/h1-5,18H
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n/an/an/a 370n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426212
PNG
(CHEMBL2311967)
Show SMILES [O-][N+](=O)c1c(Nc2ccc(Cl)c(c2)C(F)(F)F)ccc2nonc12
Show InChI InChI=1S/C13H6ClF3N4O3/c14-8-2-1-6(5-7(8)13(15,16)17)18-10-4-3-9-11(20-24-19-9)12(10)21(22)23/h1-5,18H
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n/an/an/a 170n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426213
PNG
(CHEMBL2311966)
Show SMILES [O-][N+](=O)c1c(Nc2ccc(F)c(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C12H6ClFN4O3/c13-7-5-6(1-2-8(7)14)15-10-4-3-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H
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n/an/an/a 400n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426214
PNG
(CHEMBL2311965)
Show SMILES [O-][N+](=O)c1c(Nc2cccc(Cl)c2F)ccc2nonc12
Show InChI InChI=1S/C12H6ClFN4O3/c13-6-2-1-3-7(10(6)14)15-9-5-4-8-11(17-21-16-8)12(9)18(19)20/h1-5,15H
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n/an/an/a 1.10E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426215
PNG
(CHEMBL2311962)
Show SMILES [O-][N+](=O)c1c(Nc2cccc(F)c2)ccc2nonc12
Show InChI InChI=1S/C12H7FN4O3/c13-7-2-1-3-8(6-7)14-10-5-4-9-11(16-20-15-9)12(10)17(18)19/h1-6,14H
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n/an/an/a 2.20E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426216
PNG
(CHEMBL2311961)
Show SMILES [O-][N+](=O)c1cccc(Nc2ccc3nonc3c2[N+]([O-])=O)c1
Show InChI InChI=1S/C12H7N5O5/c18-16(19)8-3-1-2-7(6-8)13-10-5-4-9-11(15-22-14-9)12(10)17(20)21/h1-6,13H
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n/an/an/a 3.00E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426217
PNG
(CHEMBL2311960)
Show SMILES [O-][N+](=O)c1c(Nc2cccc(c2)C(F)(F)F)ccc2nonc12
Show InChI InChI=1S/C13H7F3N4O3/c14-13(15,16)7-2-1-3-8(6-7)17-10-5-4-9-11(19-23-18-9)12(10)20(21)22/h1-6,17H
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n/an/an/a 640n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426218
PNG
(CHEMBL2311959)
Show SMILES [O-][N+](=O)c1c(Nc2cccc(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C12H7ClN4O3/c13-7-2-1-3-8(6-7)14-10-5-4-9-11(16-20-15-9)12(10)17(18)19/h1-6,14H
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n/an/an/a 160n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426219
PNG
(CHEMBL2311951)
Show SMILES [O-][N+](=O)c1c(NCc2ccc(F)cc2C(F)(F)F)ccc2nonc12
Show InChI InChI=1S/C14H8F4N4O3/c15-8-2-1-7(9(5-8)14(16,17)18)6-19-11-4-3-10-12(21-25-20-10)13(11)22(23)24/h1-5,19H,6H2
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n/an/an/a 540n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426220
PNG
(CHEMBL2311949)
Show SMILES [O-][N+](=O)c1c(NCc2cc(F)cc(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C13H8ClFN4O3/c14-8-3-7(4-9(15)5-8)6-16-11-2-1-10-12(18-22-17-10)13(11)19(20)21/h1-5,16H,6H2
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426221
PNG
(CHEMBL2311947)
Show SMILES [O-][N+](=O)c1c(NCc2ccc(F)cc2Cl)ccc2nonc12
Show InChI InChI=1S/C13H8ClFN4O3/c14-9-5-8(15)2-1-7(9)6-16-11-4-3-10-12(18-22-17-10)13(11)19(20)21/h1-5,16H,6H2
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n/an/an/a 500n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM50426202
PNG
(CHEMBL2311944)
Show SMILES CNS(=O)(=O)c1c(Nc2cc(F)cc(Cl)c2)ccc2nonc12
Show InChI InChI=1S/C13H10ClFN4O3S/c1-16-23(20,21)13-11(3-2-10-12(13)19-22-18-10)17-9-5-7(14)4-8(15)6-9/h2-6,16-17H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis


J Med Chem 56: 1739-47 (2013)


Article DOI: 10.1021/jm301847z
BindingDB Entry DOI: 10.7270/Q2BZ67CG
More data for this
Ligand-Target Pair