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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'   
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)
BDBM50398327
PNG
(VARIOLIN B)
Show SMILES Nc1nccc(n1)-c1c2ccnc(N)n2c2nccc(O)c12
Show InChI InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)
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n/an/an/an/a 700n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398322
PNG
(HETERONEMIN)
Show SMILES CC(=O)O[C@@H]1OC=C2[C@H]1[C@@]1(C)[C@H](O)C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C[C@@H]2OC(C)=O
Show InChI InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398328
PNG
(CHEMBL2177348)
Show SMILES COC1=C(C)C(=O)C2=C(C(COC(=O)C(\C)=C/C)N(C=O)C=C2)C1=O
Show InChI InChI=1S/C18H19NO6/c1-5-10(2)18(23)25-8-13-14-12(6-7-19(13)9-20)15(21)11(3)17(24-4)16(14)22/h5-7,9,13H,8H2,1-4H3/b10-5-
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n/an/an/an/a 2.70E+3n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50240865
PNG
((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21
Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50340949
PNG
((1R,2S)-1-((1R,4aS,11aR)-1-acetoxy-7-methyl-11-met...)
Show SMILES CC(C)=C[C@H](OC(C)=O)[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1CC\C(C)=C/CCC2=C
Show InChI InChI=1S/C26H36O7/c1-15(2)13-23(31-18(5)27)25(32-19(6)28)22-14-30-26(33-20(7)29)24-17(4)10-8-9-16(3)11-12-21(22)24/h9,13-14,21,23-26H,4,8,10-12H2,1-3,5-7H3/b16-9-/t21-,23+,24+,25-,26-/m1/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398324
PNG
(CHEMBL510804)
Show SMILES CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C=O)[C@@H]2CC=C([C@H](C=O)[C@@]12C)C(C)=O
Show InChI InChI=1S/C28H40O5/c1-17(31)19-8-9-22-26(5)13-10-21-25(3,4)11-7-12-28(21,16-30)23(26)14-24(33-18(2)32)27(22,6)20(19)15-29/h8,15-16,20-24H,7,9-14H2,1-6H3/t20-,21-,22-,23-,24-,26-,27+,28+/m0/s1
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n/an/an/an/a 4.20E+3n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50340950
PNG
((1R,2S)-1-((1R,4aS,9R,11aR)-1-acetoxy-9-hydroxy-7-...)
Show SMILES CC(C)=C[C@H](OC(C)=O)[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1CC\C(C)=C/[C@H](O)CC2=C
Show InChI InChI=1S/C26H36O8/c1-14(2)10-23(32-17(5)27)25(33-18(6)28)22-13-31-26(34-19(7)29)24-16(4)12-20(30)11-15(3)8-9-21(22)24/h10-11,13,20-21,23-26,30H,4,8-9,12H2,1-3,5-7H3/b15-11-/t20-,21+,23-,24-,25+,26+/m0/s1
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n/an/an/an/a 6.20E+3n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398325
PNG
(CHEMBL2177350)
Show SMILES O[C@H](\C=C\CCCCCCCCCCCCC\C=C/CCCC\C=C/CC\C=C\C#C[C@@H](O)C#CCCCCCC\C=C\[C@H](O)C#C)C#C
Show InChI InChI=1S/C46H68O3/c1-3-44(47)40-36-32-28-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-30-34-38-42-46(49)43-39-35-31-27-26-29-33-37-41-45(48)4-2/h1-2,7,9,19,21,30,34,36-37,40-41,44-49H,5-6,8,10-18,20,22-29,31-33,35H2/b9-7-,21-19-,34-30+,40-36+,41-37+/t44-,45+,46+/m0/s1
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n/an/an/an/a 8.70E+3n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50340951
PNG
((1R,2S)-1-((1R,4aS,8S,11aR)-1-acetoxy-8-hydroperox...)
Show SMILES CC(C)=C[C@H](OC(C)=O)[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1CCC(=C)[C@H](CCC2=C)OO
Show InChI InChI=1S/C26H36O9/c1-14(2)12-23(32-17(5)27)25(33-18(6)28)21-13-31-26(34-19(7)29)24-16(4)9-11-22(35-30)15(3)8-10-20(21)24/h12-13,20,22-26,30H,3-4,8-11H2,1-2,5-7H3/t20-,22+,23+,24+,25-,26-/m1/s1
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n/an/an/an/a 1.18E+4n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398326
PNG
(CHEMBL2177349)
Show SMILES C1[C@@H]2CCCC[C@H]2[C@@H]2\C=C\C=C\[C@@H]3[C@H](C[C@@H]4CCCC[C@@H]34)NCCCN[C@H]12
Show InChI InChI=1S/C25H40N2/c1-3-10-20-18(8-1)16-24-22(20)12-5-6-13-23-21-11-4-2-9-19(21)17-25(23)27-15-7-14-26-24/h5-6,12-13,18-27H,1-4,7-11,14-17H2/b12-5+,13-6+/t18-,19-,20+,21+,22-,23-,24-,25+/m0/s1
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n/an/an/an/a 1.48E+4n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398331
PNG
(MIMOSAMYCIN)
Show SMILES COC1=C(C)C(=O)c2cc(=O)n(C)c(C)c2C1=O
Show InChI InChI=1S/C13H13NO4/c1-6-11(16)8-5-9(15)14(3)7(2)10(8)12(17)13(6)18-4/h5H,1-4H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50356012
PNG
(AAPTAMINE)
Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23
Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398323
PNG
(CHEMBL508487)
Show SMILES CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)[C@H]([C@@H]4C(=O)O[C@H](C[C@H]21)[C@@]34C)C(C)=O
Show InChI InChI=1S/C28H42O6/c1-15(29)22-17(31)12-19-26(5)11-8-18-25(3,4)9-7-10-28(18,14-33-16(2)30)20(26)13-21-27(19,6)23(22)24(32)34-21/h17-23,31H,7-14H2,1-6H3/t17-,18-,19-,20-,21+,22+,23+,26-,27+,28+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398330
PNG
(XESTOQUINONE)
Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21
Show InChI InChI=1S/C20H14O4/c1-20-6-2-3-10-9-24-19(17(10)20)18(23)13-7-11-12(8-14(13)20)16(22)5-4-15(11)21/h4-5,7-9H,2-3,6H2,1H3/t20-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50398329
PNG
(CHEMBL2177347)
Show SMILES C\C=C(\C)C(=O)OC=c1[nH]ccc2c1c(O)c(O)c(=C)c2=O
Show InChI InChI=1S/C16H15NO5/c1-4-8(2)16(21)22-7-11-12-10(5-6-17-11)13(18)9(3)14(19)15(12)20/h4-7,17,19-20H,3H2,1-2H3/b8-4-,11-7?
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n/an/an/an/a>1.00E+5n/an/an/an/a



Frederick National Laboratory for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of HIF2alpha in human 786-0 cells expresseing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter ge...


J Nat Prod 75: 1632-6 (2012)


Article DOI: 10.1021/np300211x
BindingDB Entry DOI: 10.7270/Q2HM59KQ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50340946
PNG
((1R,3S,14S)-6,10,14-trimethyl-3-(prop-1-en-2-yl)-1...)
Show SMILES CC(=C)[C@H]1C[C@H]2O[C@@]2(C)CCC=C(C)CCC=C(C)C(=O)C1
Show InChI InChI=1S/C20H30O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17,19H,1,6-8,11-13H2,2-5H3/b15-9+,16-10?/t17-,19-,20+/m1/s1
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n/an/an/an/a 1.08E+5n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50340948
PNG
((1E,3E,7R*,8R*,11E)-1-(2-methoxypropan-2-yl)-4,8,1...)
Show SMILES COC(C)(C)C1=C/C=C(C)/CC[C@H]2O[C@@]2(C)CC\C=C(C)\CC\1
Show InChI InChI=1S/C21H34O2/c1-16-8-7-15-21(5)19(23-21)14-11-17(2)10-13-18(12-9-16)20(3,4)22-6/h8,10,13,19H,7,9,11-12,14-15H2,1-6H3/b16-8+,17-10+,18-13+/t19-,21+/m1/s1
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n/an/an/an/a 1.49E+5n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50340947
PNG
((6R,8S,18R)-3,8,12,16-Tetramethyl-7,18-dioxa-tricy...)
Show SMILES CC1=C2CC\C(C)=C\CC[C@]3(C)O[C@@H]3CC\C(C)=C\[C@H]2OC1
Show InChI InChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19-,20+/m1/s1
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Article
PubMed
n/an/an/an/a 1.83E+5n/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay


Bioorg Med Chem Lett 21: 2113-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.127
BindingDB Entry DOI: 10.7270/Q27D2VFV
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM48108
PNG
((4-acetamidophenyl) piperidine-1-carboxylate | 1-p...)
Show SMILES CC(=O)Nc1ccc(OC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C14H18N2O3/c1-11(17)15-12-5-7-13(8-6-12)19-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,15,17)
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n/an/a 2.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM38276
PNG
(2-(2,5-Dimethyl-phenyl)-benzooxazol-5-ylamine | 2-...)
Show SMILES Cc1ccc(C)c(c1)-c1nc2cc(N)ccc2o1
Show InChI InChI=1S/C15H14N2O/c1-9-3-4-10(2)12(7-9)15-17-13-8-11(16)5-6-14(13)18-15/h3-8H,16H2,1-2H3
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n/an/a 3.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93947
PNG
(3-(5-Imino-5H-[1,2,4]dithiazol-3-ylsulfanyl)-propi...)
Show SMILES OC(=O)CCSc1nc(=N)ss1
Show InChI InChI=1S/C5H6N2O2S3/c6-4-7-5(12-11-4)10-2-1-3(8)9/h6H,1-2H2,(H,8,9)
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n/an/a 6.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93948
PNG
(6-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-1,3-be...)
Show SMILES Nc1nc2ccc(cc2s1)S(=O)(=O)c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C14H10N4O2S3/c15-13-17-9-3-1-7(5-11(9)21-13)23(19,20)8-2-4-10-12(6-8)22-14(16)18-10/h1-6H,(H2,15,17)(H2,16,18)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM38890
PNG
(4-[[4-(hydroximinomethyl)-2-methoxy-phenoxy]methyl...)
Show SMILES COc1cc(CN=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H15NO5/c1-21-15-8-12(9-17-20)4-7-14(15)22-10-11-2-5-13(6-3-11)16(18)19/h2-8H,9-10H2,1H3,(H,18,19)
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n/an/a 4.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93950
PNG
(4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4,5-dihydro-1...)
Show SMILES O=C(CCCSc1nc2ccccc2s1)NC1=NCCS1
Show InChI InChI=1S/C14H15N3OS3/c18-12(17-13-15-7-9-19-13)6-3-8-20-14-16-10-4-1-2-5-11(10)21-14/h1-2,4-5H,3,6-9H2,(H,15,17,18)
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n/an/a 6.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93952
PNG
((Z)-N-(1-benzotriazolyl)-1-(4-methoxyphenyl)methan...)
Show SMILES COc1ccc(\C=N/n2nnc3ccccc23)cc1
Show InChI InChI=1S/C14H12N4O/c1-19-12-8-6-11(7-9-12)10-15-18-14-5-3-2-4-13(14)16-17-18/h2-10H,1H3/b15-10-
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n/an/a<3.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM38980
PNG
(2-(4-morpholinyl)-6,7-dihydro-[1,4]dioxino[2,3-f][...)
Show SMILES C1COc2cc3sc(nc3cc2O1)N1CCOCC1
Show InChI InChI=1S/C13H14N2O3S/c1-3-16-4-2-15(1)13-14-9-7-10-11(8-12(9)19-13)18-6-5-17-10/h7-8H,1-6H2
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n/an/a<3.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM38983
PNG
(MLS000045930 | N-(2,5-dimethoxyphenyl)-4-(5-p-phen...)
Show SMILES CCOc1ccc(cc1)-c1cc(CCCC(=O)Nc2cc(OC)ccc2OC)no1
Show InChI InChI=1S/C23H26N2O5/c1-4-29-18-10-8-16(9-11-18)22-14-17(25-30-22)6-5-7-23(26)24-20-15-19(27-2)12-13-21(20)28-3/h8-15H,4-7H2,1-3H3,(H,24,26)
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n/an/a 1.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM48137
PNG
(3-[({3-[(tetrahydro-2-furanylcarbonyl)amino]phenyl...)
Show SMILES OC(=O)c1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCCO2)c1
Show InChI InChI=1S/C19H18N2O5/c22-17(12-4-1-5-13(10-12)19(24)25)20-14-6-2-7-15(11-14)21-18(23)16-8-3-9-26-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,20,22)(H,21,23)(H,24,25)
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n/an/a 2.88E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM38999
PNG
(1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]...)
Show SMILES COCCn1c(C)cc(C(=O)CSc2nnc(C)s2)c1C
Show InChI InChI=1S/C14H19N3O2S2/c1-9-7-12(10(2)17(9)5-6-19-4)13(18)8-20-14-16-15-11(3)21-14/h7H,5-6,8H2,1-4H3
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93953
PNG
(3-({[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio}m...)
Show SMILES OC(=O)c1cccc(CSc2nnc(COc3ccccc3)o2)c1
Show InChI InChI=1S/C17H14N2O4S/c20-16(21)13-6-4-5-12(9-13)11-24-17-19-18-15(23-17)10-22-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,21)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM39020
PNG
(3-[(4,5-dimethyl-2-furoyl)amino]benzoic acid | 3-[...)
Show SMILES Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-6-12(19-9(8)2)13(16)15-11-5-3-4-10(7-11)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM39022
PNG
(4-{3-[(4-ethoxyphenoxy)methyl]benzoyl}morpholine |...)
Show SMILES CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-6-8-19(9-7-18)25-15-16-4-3-5-17(14-16)20(22)21-10-12-23-13-11-21/h3-9,14H,2,10-13,15H2,1H3
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n/an/a 7.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93954
PNG
(1-(1,2,3-benzothiadiazol-5-ylcarbamoyl)isonipecoti...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2snnc2c1
Show InChI InChI=1S/C15H18N4O3S/c1-2-22-14(20)10-5-7-19(8-6-10)15(21)16-11-3-4-13-12(9-11)17-18-23-13/h3-4,9-10H,2,5-8H2,1H3,(H,16,21)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM39028
PNG
(3-[(2-chloranylphenoxy)methyl]benzoic acid | 3-[(2...)
Show SMILES OC(=O)c1cccc(COc2ccccc2Cl)c1
Show InChI InChI=1S/C14H11ClO3/c15-12-6-1-2-7-13(12)18-9-10-4-3-5-11(8-10)14(16)17/h1-8H,9H2,(H,16,17)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM48157
PNG
(1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-(...)
Show SMILES COCCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C
Show InChI InChI=1S/C17H20N4O2S/c1-12-10-14(13(2)20(12)8-9-23-3)15(22)11-24-17-19-18-16-6-4-5-7-21(16)17/h4-7,10H,8-9,11H2,1-3H3
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n/an/a 7.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM50247261
PNG
(5-(3,5-dimethoxyphenyl)-N-(4-fluorobenzo[d]thiazol...)
Show SMILES COc1cc(OC)cc(c1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
Show InChI InChI=1S/C17H13FN4O3S/c1-23-10-6-9(7-11(8-10)24-2)15-21-22-16(25-15)20-17-19-14-12(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22)
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n/an/a 3.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM48202
PNG
(4-(5-Methoxy-1H-benzoimidazol-2-yl)-phenylamine | ...)
Show SMILES COc1ccc2nc([nH]c2c1)-c1ccc(N)cc1
Show InChI InChI=1S/C14H13N3O/c1-18-11-6-7-12-13(8-11)17-14(16-12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3,(H,16,17)
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n/an/a 1.88E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
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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n/an/a 374n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM49387
PNG
(3-[(4-methoxyphenoxy)methyl]-N-(4-nitro-1-pyrazoly...)
Show SMILES COc1ccc(OCc2cccc(c2)C(=O)Nn2cc(cn2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H16N4O5/c1-26-16-5-7-17(8-6-16)27-12-13-3-2-4-14(9-13)18(23)20-21-11-15(10-19-21)22(24)25/h2-11H,12H2,1H3,(H,20,23)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM93956
PNG
(3-[(4-methoxyphenoxy)methyl]-N-(5-methyl-1,2-oxazo...)
Show SMILES COc1ccc(OCc2cccc(c2)C(=O)Nc2cc(C)on2)cc1
Show InChI InChI=1S/C19H18N2O4/c1-13-10-18(21-25-13)20-19(22)15-5-3-4-14(11-15)12-24-17-8-6-16(23-2)7-9-17/h3-11H,12H2,1-2H3,(H,20,21,22)
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n/an/a<3.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM76390
PNG
(3-[2-(2-chlorobenzyl)-2H-tetraazol-5-yl]benzoic ac...)
Show SMILES OC(=O)c1cccc(c1)-c1nnn(Cc2ccccc2Cl)n1
Show InChI InChI=1S/C15H11ClN4O2/c16-13-7-2-1-4-12(13)9-20-18-14(17-19-20)10-5-3-6-11(8-10)15(21)22/h1-8H,9H2,(H,21,22)
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n/an/a<3.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
endothelial PAS domain-containing protein 1


(Homo sapiens)
BDBM61664
PNG
(1-anilino-3-(4-chlorophenyl)-1H-pyrrole-2,5-dione ...)
Show SMILES Clc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O
Show InChI InChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-10-15(20)19(16(14)21)18-13-4-2-1-3-5-13/h1-10,18H
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n/an/a 5.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
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