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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Hypoxia-inducible factor 1-alpha'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM26108
PNG
((2R)-2-(formamidoformic acid)-4-phenylbutanoic aci...)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)C(O)=O
Show InChI InChI=1S/C12H13NO5/c14-10(12(17)18)13-9(11(15)16)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t9-/m1/s1
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8.30E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of asparaginyl hydroxylase factor-inhibiting-HIF


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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1.20E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of asparaginyl hydroxylase factor-inhibiting-HIF


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia-inducible factor 1-alpha


(Mus musculus)
BDBM50414393
PNG
(CHEMBL2021443)
Show SMILES COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1O)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C41H50O11/c1-22-23(2)41(29-13-17-34(37(21-29)49-9)51-25(4)39(44)27-11-16-33(46-6)36(20-27)48-8)52-40(22)28-12-14-31(30(42)18-28)50-24(3)38(43)26-10-15-32(45-5)35(19-26)47-7/h10-25,38-44H,1-9H3/t22-,23-,24-,25-,38+,39+,40-,41-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of CoCl2-induced HIF1alpha expression in mouse 4T1 cells transfected with oxygen-dependent-degradation domain of HIFalpha by luciferase re...


Bioorg Med Chem Lett 19: 3783-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.071
BindingDB Entry DOI: 10.7270/Q2959HMT
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQG...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.02E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50317547
PNG
(CHEMBL4163812)
Show SMILES OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asco...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50361473
PNG
(CHEMBL1435274)
Show SMILES OC(=O)c1ccnc2c(O)cccc12
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FIH


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50361475
PNG
(CHEMBL1938900)
Show SMILES ON(CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1)C(=O)C=CC(O)=O
Show InChI InChI=1S/C27H29N3O6/c31-25(14-15-26(32)33)30(35)17-4-3-16-28-18-20-10-12-21(13-11-20)19-36-27(34)29-24-9-5-7-22-6-1-2-8-23(22)24/h1-2,5-15,28,35H,3-4,16-19H2,(H,29,34)(H,32,33)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FIH


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50495472
PNG
(CHEMBL3108952)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1
Show InChI InChI=1S/C19H17N3O2.ClH/c20-16-10-15(16)11-3-5-12(6-4-11)22-19(24)14-7-8-17(23)18-13(14)2-1-9-21-18;/h1-9,15-16,23H,10,20H2,(H,22,24);1H/t15-,16+;/m0./s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of FIH (unknown origin) by mass spectrometry


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM107704
PNG
(US8598210, 119 | US8598210, Table XV, 10 | US85982...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asco...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asco...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304610
PNG
(3-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazoli...)
Show SMILES COc1ccccc1\C=C1/SC(=S)N(CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)C1=O
Show InChI InChI=1S/C20H19N3O5S3/c1-28-16-5-3-2-4-13(16)12-17-19(25)23(20(29)30-17)11-10-18(24)22-14-6-8-15(9-7-14)31(21,26)27/h2-9,12H,10-11H2,1H3,(H,22,24)(H2,21,26,27)/b17-12-
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n/an/a 3.21E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304612
PNG
(2-(5-((3-(4-(ethylthio)phenyl)-1-phenyl-1H-pyrazol...)
Show SMILES CCSc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
Show InChI InChI=1S/C23H19N3O3S3/c1-2-31-18-10-8-15(9-11-18)21-16(13-26(24-21)17-6-4-3-5-7-17)12-19-22(29)25(14-20(27)28)23(30)32-19/h3-13H,2,14H2,1H3,(H,27,28)/b19-12+
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n/an/a 3.62E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304617
PNG
(6-((2-methoxyphenoxy)methyl)-3-(quinolin-2-yl)thia...)
Show SMILES COc1ccccc1OCc1cn2c(nnc2s1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C21H16N4O2S/c1-26-18-8-4-5-9-19(18)27-13-15-12-25-20(23-24-21(25)28-15)17-11-10-14-6-2-3-7-16(14)22-17/h2-12H,13H2,1H3
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n/an/a 4.14E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304614
PNG
(CHEMBL594893 | N-(benzo[c][1,2,5]oxadiazol-4-yl)-2...)
Show SMILES COc1cccc(\C=C2/SC(=S)N(CC(=O)Nc3cccc4nonc34)C2=O)c1
Show InChI InChI=1S/C19H14N4O4S2/c1-26-12-5-2-4-11(8-12)9-15-18(25)23(19(28)29-15)10-16(24)20-13-6-3-7-14-17(13)22-27-21-14/h2-9H,10H2,1H3,(H,20,24)/b15-9-
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n/an/a 4.53E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304616
PNG
(6-(2-methoxystyryl)-3-(quinolin-2-yl)thiazolo[2,3-...)
Show SMILES COc1ccccc1\C=C\c1cn2c(nnc2s1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C22H16N4OS/c1-27-20-9-5-3-7-16(20)10-12-17-14-26-21(24-25-22(26)28-17)19-13-11-15-6-2-4-8-18(15)23-19/h2-14H,1H3/b12-10+
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n/an/a 4.75E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304613
PNG
(CHEMBL593127 | N-(benzo[c][1,2,5]oxadiazol-4-yl)-3...)
Show SMILES O=C(CCN1C(=S)S\C(=C\C=C\c2ccco2)C1=O)Nc1cccc2nonc12
Show InChI InChI=1S/C19H14N4O4S2/c24-16(20-13-6-2-7-14-17(13)22-27-21-14)9-10-23-18(25)15(29-19(23)28)8-1-4-12-5-3-11-26-12/h1-8,11H,9-10H2,(H,20,24)/b4-1+,15-8+
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n/an/a 4.86E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM118338
PNG
(US8653111, 62)
Show SMILES CC(C)(C)OC(=O)c1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O
Show InChI InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asco...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304611
PNG
(3-(5-((5-(4-chlorophenyl)furan-2-yl)methylene)-4-o...)
Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)13-6-5-12(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9+
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n/an/a 6.60E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50304615
PNG
(CHEMBL593738 | N-(benzo[c][1,2,5]oxadiazol-4-yl)-3...)
Show SMILES COc1cccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc4nonc34)C2=O)c1
Show InChI InChI=1S/C20H16N4O4S2/c1-27-13-5-2-4-12(10-13)11-16-19(26)24(20(29)30-16)9-8-17(25)21-14-6-3-7-15-18(14)23-28-22-15/h2-7,10-11H,8-9H2,1H3,(H,21,25)/b16-11-
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n/an/a 7.31E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FIH1


Bioorg Med Chem 17: 7769-74 (2009)


Article DOI: 10.1016/j.bmc.2009.09.034
BindingDB Entry DOI: 10.7270/Q2TM7B6R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395079
PNG
(CHEMBL2164244)
Show SMILES C[N+](C)(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C7H14N2O3/c1-9(2,3)8-6(10)4-5-7(11)12/h4-5H2,1-3H3,(H-,8,10,11,12)/p+1
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395077
PNG
(CHEMBL2164250)
Show SMILES CN(C)NC(=O)CCC(=O)NN(C)C
Show InChI InChI=1S/C8H18N4O2/c1-11(2)9-7(13)5-6-8(14)10-12(3)4/h5-6H2,1-4H3,(H,9,13)(H,10,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50431015
PNG
(CHEMBL2338329 | US9115085, Compound A Form A | US9...)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12
Show InChI InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asco...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50495468
PNG
(CHEMBL3108958)
Show SMILES OC(=O)C(F)(F)F.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1
Show InChI InChI=1S/C21H18N4O3.C2HF3O2/c22-17-11-16(17)12-1-3-15(4-2-12)25-20(26)13-5-7-23-18(9-13)19-10-14(21(27)28)6-8-24-19;3-2(4,5)1(6)7/h1-10,16-17H,11,22H2,(H,25,26)(H,27,28);(H,6,7)/t16-,17+;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of FIH (unknown origin) by mass spectrometry


J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.006
BindingDB Entry DOI: 10.7270/Q23N2288
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395080
PNG
(CHEMBL2164249)
Show SMILES CN(C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C6H11NO4/c1-7(2)11-6(10)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395081
PNG
(CHEMBL2164248)
Show SMILES CC(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C7H13NO3/c1-5(2)8-6(9)3-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395082
PNG
(CHEMBL2164247)
Show SMILES CN(C)N(C)C(=O)CCC(O)=O
Show InChI InChI=1S/C7H14N2O3/c1-8(2)9(3)6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50151393
PNG
(CHEMBL3775867)
Show SMILES Cc1cc(no1)C(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24)
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n/an/a 4.73E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQG...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50151397
PNG
(CHEMBL3775272)
Show SMILES COc1cccc(CC(=O)Nc2ccc(O)c(c2)-c2cc(ccn2)C(O)=O)c1
Show InChI InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQG...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50151401
PNG
(CHEMBL3774598)
Show SMILES CC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQG...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50151392
PNG
(CHEMBL3775262)
Show SMILES OC(=O)c1ccnc(c1)-c1cc(NC(=O)c2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQG...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50151399
PNG
(CHEMBL3775380)
Show SMILES COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H14N2O5/c1-22-8-14(19)17-10-2-3-13(18)11(7-10)12-6-9(15(20)21)4-5-16-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQG...


J Med Chem 59: 1580-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01527
BindingDB Entry DOI: 10.7270/Q2P84DRX
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM26107
PNG
((2R)-2-(formamidoformic acid)-3-phenylpropanoic ac...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O
Show InChI InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1
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n/an/an/a 8.30E+4n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of FIH (unknown origin)


J Med Chem 62: 5725-5749 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01596
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)