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Compile Data Set for Download or QSAR

Found 315 hits Enz. Inhib. hit(s) with Target = 'Endothelial PAS domain-containing protein 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50105306
PNG
(CHEMBL3597782)
Show SMILES Fc1ccc(Br)c(F)c1[C@H]1C[C@H](Nc2nnnn12)c1cccc(Br)c1
Show InChI InChI=1/C16H11Br2F2N5/c17-9-3-1-2-8(6-9)12-7-13(25-16(21-12)22-23-24-25)14-11(19)5-4-10(18)15(14)20/h1-6,12-13H,7H2,(H,21,22,24)/t12-,13+/s2
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n/an/a 32n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105310
PNG
(CHEMBL3597786)
Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1
Show InChI InChI=1/C16H12Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/s2
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n/an/a 43n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105280
PNG
(CHEMBL3597780)
Show SMILES Clc1ccc(Br)cc1[C@H]1C[C@H](Nc2nnnn12)c1cccc(Br)c1
Show InChI InChI=1/C16H12Br2ClN5/c17-10-3-1-2-9(6-10)14-8-15(24-16(20-14)21-22-23-24)12-7-11(18)4-5-13(12)19/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/s2
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n/an/a 87n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105308
PNG
(CHEMBL3597784)
Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1
Show InChI InChI=1/C16H13BrFN5/c17-12-6-11(7-13(18)8-12)14-9-15(10-4-2-1-3-5-10)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/s2
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n/an/a 97n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105278
PNG
(CHEMBL3597778)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(I)c2)n2nnnc2N1
Show InChI InChI=1/C16H13BrIN5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/s2
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n/an/a 108n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105276
PNG
(CHEMBL3597698)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1
Show InChI InChI=1/C16H13Br2N5/c17-12-5-1-3-10(7-12)14-9-15(11-4-2-6-13(18)8-11)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/s2
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n/an/a 112n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105274
PNG
(CHEMBL3597696)
Show SMILES Clc1ccccc1[C@H]1C[C@H](Nc2nnnn12)c1cccc(Br)c1
Show InChI InChI=1/C16H13BrClN5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/s2
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n/an/a 195n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM59558
PNG
(3-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)s...)
Show SMILES Cc1nc(SCCC(O)=O)c2cc(sc2n1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2S2/c1-10-17-15(21-8-7-14(19)20)12-9-13(22-16(12)18-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,19,20)
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n/an/a 212n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM48242
PNG
(2-[4-[(4-tert-butylbenzoyl)amino]phenyl]acetic aci...)
Show SMILES COC(=O)Cc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C20H23NO3/c1-20(2,3)16-9-7-15(8-10-16)19(23)21-17-11-5-14(6-12-17)13-18(22)24-4/h5-12H,13H2,1-4H3,(H,21,23)
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n/an/a 243n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105268
PNG
(CHEMBL3597690)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1
Show InChI InChI=1/C16H14BrN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-9,14-15H,10H2,(H,18,19,21)/t14-,15+/s2
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n/an/a 248n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94003
PNG
(3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2cc3oc4CCCCc4c3cc12
Show InChI InChI=1S/C19H18O5/c1-10-11(6-7-18(20)21)19(22)24-16-9-17-14(8-13(10)16)12-4-2-3-5-15(12)23-17/h8-9H,2-7H2,1H3,(H,20,21)
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n/an/a 276n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM38917
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]pro...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(N)=O)n1
Show InChI InChI=1S/C15H19N3O2/c1-15(2,3)11-6-4-10(5-7-11)14-17-13(20-18-14)9-8-12(16)19/h4-7H,8-9H2,1-3H3,(H2,16,19)
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n/an/a<300n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94046
PNG
(4-(5-phenyl-1,3-oxazol-2-yl)aniline | 4-(5-phenyl-...)
Show SMILES Nc1ccc(cc1)-c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c16-13-8-6-12(7-9-13)15-17-10-14(18-15)11-4-2-1-3-5-11/h1-10H,16H2
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n/an/a<300n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM38998
PNG
(MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...)
Show SMILES O=C(CSc1nnc[nH]1)Nc1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C14H15N5OS2/c15-6-10-9-4-2-1-3-5-11(9)22-13(10)18-12(20)7-21-14-16-8-17-19-14/h8H,1-5,7H2,(H,18,20)(H,16,17,19)
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n/an/a<300n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105272
PNG
(CHEMBL3597694)
Show SMILES Brc1cccc(c1)[C@@H]1C[C@H](c2ccccc2Br)n2nnnc2N1
Show InChI InChI=1/C16H13Br2N5/c17-11-5-3-4-10(8-11)14-9-15(12-6-1-2-7-13(12)18)23-16(19-14)20-21-22-23/h1-8,14-15H,9H2,(H,19,20,22)/t14-,15+/s2
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n/an/a 314n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93990
PNG
(3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-...)
Show SMILES Cc1csc(NC(=O)CCc2c(C)nc3cc(nn3c2C)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H20ClN5OS/c1-12-11-29-21(23-12)25-20(28)9-8-17-13(2)24-19-10-18(26-27(19)14(17)3)15-4-6-16(22)7-5-15/h4-7,10-11H,8-9H2,1-3H3,(H,23,25,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM48209
PNG
(2-[4-[(3-methyl-2-furoyl)amino]phenyl]acetic acid ...)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C14H13NO4/c1-9-6-7-19-13(9)14(18)15-11-4-2-10(3-5-11)8-12(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94007
PNG
((E)-3-[4-(2-cyanobenzyl)oxyphenyl]acrylic acid | (...)
Show SMILES OC(=O)\C=C\c1ccc(OCc2ccccc2C#N)cc1
Show InChI InChI=1S/C17H13NO3/c18-11-14-3-1-2-4-15(14)12-21-16-8-5-13(6-9-16)7-10-17(19)20/h1-10H,12H2,(H,19,20)/b10-7+
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n/an/a 391n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94022
PNG
(4-[(E)-[[4-[(2-isopropyl-5-methyl-phenoxy)methyl]b...)
Show SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H26N2O4/c1-17(2)23-13-4-18(3)14-24(23)32-16-20-7-9-21(10-8-20)25(29)28-27-15-19-5-11-22(12-6-19)26(30)31/h4-15,17H,16H2,1-3H3,(H,28,29)(H,30,31)/b27-15+
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n/an/a 450n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94039
PNG
(2-(2,4-Dimethyl-phenyl)-2H-benzotriazol-5-ylamine ...)
Show SMILES Cc1ccc(c(C)c1)-n1nc2ccc(N)cc2n1
Show InChI InChI=1S/C14H14N4/c1-9-3-6-14(10(2)7-9)18-16-12-5-4-11(15)8-13(12)17-18/h3-8H,15H2,1-2H3
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n/an/a 452n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94053
PNG
((2S)-1-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzo...)
Show SMILES Cc1c(CCC(=O)N2CCC[C@H]2C(O)=O)c(=O)oc2cc3oc4CCCCc4c3cc12
Show InChI InChI=1S/C24H25NO6/c1-13-14(8-9-22(26)25-10-4-6-18(25)23(27)28)24(29)31-20-12-21-17(11-16(13)20)15-5-2-3-7-19(15)30-21/h11-12,18H,2-10H2,1H3,(H,27,28)/t18-/m0/s1
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n/an/a 512n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM38964
PNG
(3-[(4-methoxyphenoxy)methyl]benzoic acid | MLS0000...)
Show SMILES COc1ccc(OCc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C15H14O4/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)
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n/an/a 781n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93951
PNG
(3-(5,7-dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrimidi...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1ccccc1
Show InChI InChI=1S/C24H28N4O3/c1-17-20(8-9-23(29)27-12-10-24(11-13-27)30-14-15-31-24)18(2)28-22(25-17)16-21(26-28)19-6-4-3-5-7-19/h3-7,16H,8-15H2,1-2H3
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n/an/a 832n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94068
PNG
(MLS003120467 | N-(4-acetamidophenyl)-4-(2-methyl-3...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccnn3C)c3ccoc23)cc1
Show InChI InChI=1S/C21H18N4O3/c1-13(26)23-14-3-5-15(6-4-14)24-21(27)18-8-7-16(17-10-12-28-20(17)18)19-9-11-22-25(19)2/h3-12H,1-2H3,(H,23,26)(H,24,27)
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n/an/a 858n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94011
PNG
((3-aminophenyl)(3,4-dimethylphenyl)methanone | (3-...)
Show SMILES Cc1ccc(cc1C)C(=O)c1cccc(N)c1
Show InChI InChI=1S/C15H15NO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h3-9H,16H2,1-2H3
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n/an/a 864n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93993
PNG
(4-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)thioc...)
Show SMILES CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2c(Br)c(C)nn2C)cc1
Show InChI InChI=1S/C18H21BrN4O3S/c1-4-5-10-26-17(25)12-6-8-13(9-7-12)20-18(27)21-16(24)15-14(19)11(2)22-23(15)3/h6-9H,4-5,10H2,1-3H3,(H2,20,21,24,27)
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n/an/a 894n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94015
PNG
(2-[4-(4-pyridin-2-ylpyrimidin-2-yl)phenoxy]acetic ...)
Show SMILES OC(=O)COc1ccc(cc1)-c1nccc(n1)-c1ccccn1
Show InChI InChI=1S/C17H13N3O3/c21-16(22)11-23-13-6-4-12(5-7-13)17-19-10-8-15(20-17)14-3-1-2-9-18-14/h1-10H,11H2,(H,21,22)
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n/an/a 913n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93995
PNG
(1-(3-nitrobenzyl)-1H-indole-3-carbaldehyde | 1-(3-...)
Show SMILES [O-][N+](=O)c1cccc(Cn2cc(C=O)c3ccccc23)c1
Show InChI InChI=1S/C16H12N2O3/c19-11-13-10-17(16-7-2-1-6-15(13)16)9-12-4-3-5-14(8-12)18(20)21/h1-8,10-11H,9H2
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n/an/a 978n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105310
PNG
(CHEMBL3597786)
Show SMILES Fc1cc(Br)cc(c1)[C@@H]1C[C@H](c2cccc(Br)c2)n2nnnc2N1
Show InChI InChI=1/C16H12Br2FN5/c17-11-3-1-2-9(4-11)15-8-14(20-16-21-22-23-24(15)16)10-5-12(18)7-13(19)6-10/h1-7,14-15H,8H2,(H,20,21,23)/t14-,15+/s2
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n/an/a<1.00E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha in human Hep3B cells assessed as downregulation of EPO mRNA expression by RT-PCR analysis


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM87341
PNG
(3-[3-(4-tert-Butyl-phenyl)-[1,2,4]oxadiazol-5-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)15-8-6-14(7-9-15)19-23-18(26-24-19)11-10-17(25)22-16-5-4-12-21-13-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94058
PNG
(3-(4-aminophenyl)-2-benzopyran-1-one | 3-(4-aminop...)
Show SMILES Nc1ccc(cc1)-c1cc2ccccc2c(=O)o1
Show InChI InChI=1S/C15H11NO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H,16H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50105270
PNG
(CHEMBL3597692)
Show SMILES Ic1cccc(c1)[C@@H]1C[C@H](c2ccccc2)n2nnnc2N1
Show InChI InChI=1/C16H14IN5/c17-13-8-4-7-12(9-13)14-10-15(11-5-2-1-3-6-11)22-16(18-14)19-20-21-22/h1-9,14-15H,10H2,(H,18,19,21)/t14-,15+/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of inter...


J Med Chem 58: 5930-41 (2015)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM59529
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)15-8-6-14(7-9-15)19-22-18(26-23-19)11-10-17(24)21-13-16-5-4-12-25-16/h4-9,12H,10-11,13H2,1-3H3,(H,21,24)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94069
PNG
(MLS001125810 | N-[[4-[(4-bromobenzoyl)amino]phenyl...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C19H14BrN3O3S/c20-13-5-3-12(4-6-13)17(24)21-14-7-9-15(10-8-14)22-19(27)23-18(25)16-2-1-11-26-16/h1-11H,(H,21,24)(H2,22,23,25,27)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM64363
PNG
(4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cycl...)
Show SMILES Clc1ccccc1-c1noc(CCCC(=O)NC2CCCC2)n1
Show InChI InChI=1S/C17H20ClN3O2/c18-14-9-4-3-8-13(14)17-20-16(23-21-17)11-5-10-15(22)19-12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,19,22)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94008
PNG
(3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sul...)
Show SMILES Cc1nc(SCc2cccc(c2)C(O)=O)nc2CCCCc12
Show InChI InChI=1S/C17H18N2O2S/c1-11-14-7-2-3-8-15(14)19-17(18-11)22-10-12-5-4-6-13(9-12)16(20)21/h4-6,9H,2-3,7-8,10H2,1H3,(H,20,21)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM77237
PNG
(3-(5,7-dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrimidi...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c1-20-24(21(2)32-26(28-20)19-25(29-32)22-9-5-3-6-10-22)13-14-27(33)31-17-15-30(16-18-31)23-11-7-4-8-12-23/h3-12,19H,13-18H2,1-2H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM7630
PNG
(cid_2193280)
Show SMILES S=C(N1CCOCC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17NOS/c20-17(18-10-12-19-13-11-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2
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n/an/a 1.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94042
PNG
(2-[4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy]acetic...)
Show SMILES COC(=O)COc1ccc(cc1)-c1nccc(n1)-c1ccccn1
Show InChI InChI=1S/C18H15N3O3/c1-23-17(22)12-24-14-7-5-13(6-8-14)18-20-11-9-16(21-18)15-4-2-3-10-19-15/h2-11H,12H2,1H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM39089
PNG
(2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5...)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM60223
PNG
(4-methyl-N-(8-quinolinyl)benzenesulfonamide | 4-me...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H14N2O2S/c1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15/h2-11,18H,1H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM64327
PNG
((5Z)-3-(2-aminoethyl)-5-(1,3-benzodioxol-5-ylmethy...)
Show SMILES NCCN1C(=O)S\C(=C/c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C13H12N2O4S/c14-3-4-15-12(16)11(20-13(15)17)6-8-1-2-9-10(5-8)19-7-18-9/h1-2,5-6H,3-4,7,14H2/b11-6-
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n/an/a 1.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM35415
PNG
(1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(3-fl...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1
Show InChI InChI=1S/C24H27FN4O3/c1-16-20(6-7-23(30)28-10-8-24(9-11-28)31-12-13-32-24)17(2)29-22(26-16)15-21(27-29)18-4-3-5-19(25)14-18/h3-5,14-15H,6-13H2,1-2H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93958
PNG
(1-[3-(5,7-dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrim...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCc1c(C)nc2cc(nn2c1C)-c1ccccc1
Show InChI InChI=1S/C25H30N4O3/c1-4-32-25(31)20-12-14-28(15-13-20)24(30)11-10-21-17(2)26-23-16-22(27-29(23)18(21)3)19-8-6-5-7-9-19/h5-9,16,20H,4,10-15H2,1-3H3
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n/an/a 1.39E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94054
PNG
(1-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzofuro[...)
Show SMILES Cc1c(CCC(=O)N2CCC(CC2)(C(O)=O)c2ccccc2)c(=O)oc2cc3oc4CCCCc4c3cc12
Show InChI InChI=1S/C31H31NO6/c1-19-21(29(34)38-26-18-27-24(17-23(19)26)22-9-5-6-10-25(22)37-27)11-12-28(33)32-15-13-31(14-16-32,30(35)36)20-7-3-2-4-8-20/h2-4,7-8,17-18H,5-6,9-16H2,1H3,(H,35,36)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93957
PNG
(3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)NCc1ccco1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN4O2/c1-14-19(9-10-22(28)24-13-18-4-3-11-29-18)15(2)27-21(25-14)12-20(26-27)16-5-7-17(23)8-6-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,28)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM94041
PNG
((2S)-2-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzo...)
Show SMILES CC(C)C[C@H](NC(=O)CCc1c(C)c2cc3c4CCCCc4oc3cc2oc1=O)C(O)=O
Show InChI InChI=1S/C25H29NO6/c1-13(2)10-19(24(28)29)26-23(27)9-8-15-14(3)17-11-18-16-6-4-5-7-20(16)31-22(18)12-21(17)32-25(15)30/h11-13,19H,4-10H2,1-3H3,(H,26,27)(H,28,29)/t19-/m0/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93955
PNG
(MLS000103529 | N-(4-acetamidophenyl)-3,5,6-trimeth...)
Show SMILES CC(=O)Nc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1
Show InChI InChI=1S/C20H20N2O3/c1-11-9-17-13(3)19(25-18(17)10-12(11)2)20(24)22-16-7-5-15(6-8-16)21-14(4)23/h5-10H,1-4H3,(H,21,23)(H,22,24)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM36972
PNG
(2-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]phenyl]...)
Show SMILES CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C19H20N2O2/c1-13(2)17-9-4-14(3)10-18(17)22-11-15-5-7-16(8-6-15)19-21-20-12-23-19/h4-10,12-13H,11H2,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93959
PNG
(3-(5,7-dimethyl-2-phenyl-6-pyrazolo[1,5-a]pyrimidi...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)NCc1ccco1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c1-15-19(10-11-22(27)23-14-18-9-6-12-28-18)16(2)26-21(24-15)13-20(25-26)17-7-4-3-5-8-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
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