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SMILES: Cc1cccc(Nc2nc(nnc2-c2ccccc2)-c2ccccn2)n1

InChI Key: InChIKey=JQVHDQRNZLAXIV-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 3 hits for monomerid = 50393277   
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
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50393277
PNG
(CHEMBL2152032)
Show SMILES Cc1cccc(Nc2nc(nnc2-c2ccccc2)-c2ccccn2)n1
Show InChI InChI=1S/C20H16N6/c1-14-8-7-12-17(22-14)23-20-18(15-9-3-2-4-10-15)25-26-19(24-20)16-11-5-6-13-21-16/h2-13H,1H3,(H,22,23,24,26)
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n/an/an/an/a 2.24E+4n/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))
BDBM50393277
PNG
(CHEMBL2152032)
Show SMILES Cc1cccc(Nc2nc(nnc2-c2ccccc2)-c2ccccn2)n1
Show InChI InChI=1S/C20H16N6/c1-14-8-7-12-17(22-14)23-20-18(15-9-3-2-4-10-15)25-26-19(24-20)16-11-5-6-13-21-16/h2-13H,1H3,(H,22,23,24,26)
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Article
PubMed
n/an/an/an/a 7.55E+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
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50393277
PNG
(CHEMBL2152032)
Show SMILES Cc1cccc(Nc2nc(nnc2-c2ccccc2)-c2ccccn2)n1
Show InChI InChI=1S/C20H16N6/c1-14-8-7-12-17(22-14)23-20-18(15-9-3-2-4-10-15)25-26-19(24-20)16-11-5-6-13-21-16/h2-13H,1H3,(H,22,23,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.41E+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