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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 = 'BDBM50222818'   
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))
BDBM50222818
PNG
(2-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-isoni...)
Show SMILES NC(=O)c1ccnc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:16:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C24H27N3O3/c25-23(29)18-5-6-26-21(10-18)27-22(28)14-30-20-3-1-19(2-4-20)24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17H,7-9,11-14H2,(H2,25,29)(H,26,27,28)
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Molecular Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of hypoxia induced HIF1alpha transcriptional activity in human Sk-Hep1 cells by reporter gene assay


Bioorg Med Chem Lett 17: 6305-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.005
BindingDB Entry DOI: 10.7270/Q2PR7VQT
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50222818
PNG
(2-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-isoni...)
Show SMILES NC(=O)c1ccnc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:16:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C24H27N3O3/c25-23(29)18-5-6-26-21(10-18)27-22(28)14-30-20-3-1-19(2-4-20)24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17H,7-9,11-14H2,(H2,25,29)(H,26,27,28)
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Molecular Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of hypoxia induced HIF1alpha transcriptional activity in human AGS cells by reporter gene assay


Bioorg Med Chem Lett 17: 6305-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.005
BindingDB Entry DOI: 10.7270/Q2PR7VQT
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50222818
PNG
(2-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-isoni...)
Show SMILES NC(=O)c1ccnc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:16:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
Show InChI InChI=1S/C24H27N3O3/c25-23(29)18-5-6-26-21(10-18)27-22(28)14-30-20-3-1-19(2-4-20)24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17H,7-9,11-14H2,(H2,25,29)(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Molecular Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of hypoxia induced HIF1alpha transcriptional activity in human Hep3B cells by reporter gene assay


Bioorg Med Chem Lett 17: 6305-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.005
BindingDB Entry DOI: 10.7270/Q2PR7VQT
More data for this
Ligand-Target Pair