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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50003965   
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/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478130
PNG
(CHEMBL271159)
Show SMILES [H][C@]12CC[C@](C)(O)[C@@H](Cc3cc(O)ccc3O)[C@]1(C)CC[C@]1([H])[C@]3(C)CCC[C@]21COC3=O
Show InChI InChI=1S/C26H36O5/c1-23-11-7-20-24(2)9-4-10-26(20,15-31-22(24)29)19(23)8-12-25(3,30)21(23)14-16-13-17(27)5-6-18(16)28/h5-6,13,19-21,27-28,30H,4,7-12,14-15H2,1-3H3/t19-,20+,21-,23+,24-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.00E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 transcriptional activation in human U251-HRE cells by luciferase reporter assay


J Med Chem 51: 1402-5 (2008)


Article DOI: 10.1021/jm7010854
BindingDB Entry DOI: 10.7270/Q2W95CZS
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478132
PNG
(CHEMBL259472)
Show SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5ccc(O)cc5C[C@@]34[H])[C@@]1(C)CCC[C@]2(C)C(O)=O
Show InChI InChI=1S/C26H36O4/c1-23-10-5-11-25(3,22(28)29)20(23)8-12-24(2)19(23)9-13-26(4)21(24)15-16-14-17(27)6-7-18(16)30-26/h6-7,14,19-21,27H,5,8-13,15H2,1-4H3,(H,28,29)/t19-,20+,21+,23-,24-,25+,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30E+4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 transcriptional activation in human U251-HRE cells by luciferase reporter assay


J Med Chem 51: 1402-5 (2008)


Article DOI: 10.1021/jm7010854
BindingDB Entry DOI: 10.7270/Q2W95CZS
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478131
PNG
(CHEMBL270091)
Show SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5ccc(O)cc5C[C@@]34[H])[C@@]11CCC[C@]2(C)C(=O)OC1
Show InChI InChI=1S/C26H34O4/c1-23-11-7-20-24(2)9-4-10-26(20,15-29-22(24)28)19(23)8-12-25(3)21(23)14-16-13-17(27)5-6-18(16)30-25/h5-6,13,19-21,27H,4,7-12,14-15H2,1-3H3/t19-,20+,21-,23+,24-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.00E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 transcriptional activation in human U251-HRE cells by luciferase reporter assay


J Med Chem 51: 1402-5 (2008)


Article DOI: 10.1021/jm7010854
BindingDB Entry DOI: 10.7270/Q2W95CZS
More data for this
Ligand-Target Pair