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BDBM50393282 CHEMBL2139663

SMILES: Cc1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1

InChI Key: InChIKey=XXSFXQLMBCXBAH-UHFFFAOYSA-N

Data: 3 EC50

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 = 50393282   
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))
BDBM50393282
PNG
(CHEMBL2139663)
Show SMILES Cc1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H19N5/c1-16-10-12-17(13-11-16)15-24-22-20(18-7-3-2-4-8-18)26-27-21(25-22)19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,24,25,27)
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Similars

Article
PubMed
n/an/an/an/a 4.58E+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))
BDBM50393282
PNG
(CHEMBL2139663)
Show SMILES Cc1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H19N5/c1-16-10-12-17(13-11-16)15-24-22-20(18-7-3-2-4-8-18)26-27-21(25-22)19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,24,25,27)
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.60E+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))
BDBM50393282
PNG
(CHEMBL2139663)
Show SMILES Cc1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
Show InChI InChI=1S/C22H19N5/c1-16-10-12-17(13-11-16)15-24-22-20(18-7-3-2-4-8-18)26-27-21(25-22)19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,24,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 1.19E+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