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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Hypoxia-inducible factor 1-alpha' and Ligand = 'BDBM50393300'   
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
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50393300
PNG
(CHEMBL2130568)
Show SMILES C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCCCC1
Show InChI InChI=1S/C21H23N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,24,26)
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Article
PubMed
n/an/an/an/a 2.46E+3n/an/an/an/a



The Broad Institute Probe Development Center

Curated by ChEMBL


Assay Description
Activation of GFP-tagged HIF1alpha expressed in human U2OS cells assessed as HIF1alpha nuclear translocation by high content imaging assay


Bioorg Med Chem Lett 22: 76-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.077
BindingDB Entry DOI: 10.7270/Q2XD12SN
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50393300
PNG
(CHEMBL2130568)
Show SMILES C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCCCC1
Show InChI InChI=1S/C21H23N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,24,26)
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Article
PubMed
n/an/an/an/a 4.74E+3n/an/an/an/a



The Broad Institute Probe Development Center

Curated by ChEMBL


Assay Description
Activation of human HIF1alpha expressed in DFX-induced human U2OS cells incubated for 30 mins prior to DFX-induction measured after overnight incubat...


Bioorg Med Chem Lett 22: 76-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.077
BindingDB Entry DOI: 10.7270/Q2XD12SN
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50393300
PNG
(CHEMBL2130568)
Show SMILES C(Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCCCC1
Show InChI InChI=1S/C21H23N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,24,26)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.45E+3n/an/an/an/a



The Broad Institute Probe Development Center

Curated by ChEMBL


Assay Description
Activation of human HIF1alpha expressed in human U2OS cells assessed as increase in VEGF expression by RT-PCR analysis


Bioorg Med Chem Lett 22: 76-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.077
BindingDB Entry DOI: 10.7270/Q2XD12SN
More data for this
Ligand-Target Pair