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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50216489'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216489
PNG
(5-benzyl-3-methyl-6-(4-phenylpiperidin-1-yl)pyrimi...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-25-22(27)20(16-17-8-4-2-5-9-17)21(24-23(25)28)26-14-12-19(13-15-26)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216489
PNG
(5-benzyl-3-methyl-6-(4-phenylpiperidin-1-yl)pyrimi...)
Show SMILES Cn1c(=O)[nH]c(N2CCC(CC2)c2ccccc2)c(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-25-22(27)20(16-17-8-4-2-5-9-17)21(24-23(25)28)26-14-12-19(13-15-26)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human GR


Bioorg Med Chem Lett 17: 4901-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.036
BindingDB Entry DOI: 10.7270/Q21Z444J
More data for this
Ligand-Target Pair