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SMILES: CC(C)(C)OC(=O)c1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O

InChI Key: InChIKey=HWQQDVNGHZIALS-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 118338   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prolyl hydroxylase EGLN2


(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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US Patent
n/an/a 50n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF i...


US Patent US8653111 (2014)


BindingDB Entry DOI: 10.7270/Q2GH9GMD
More data for this
Ligand-Target Pair
Egl nine homolog 1


(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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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PHD2 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asc...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase


(Paramecium bursaria Chlorella virus 1)
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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Article
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...


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-alpha inhibitor


(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
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
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
Prolyl 3-hydroxylase OGFOD1


(Homo sapiens)
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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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human OGFOD1 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-a...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
More data for this
Ligand-Target Pair