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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50216482'   
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))
BDBM50216482
PNG
(5-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C23H25N3O2/c27-22-20(16-18-9-5-2-6-10-18)21(24-23(28)25-22)26-13-11-19(12-14-26)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H2,24,25,27,28)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
19n/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))
BDBM50216482
PNG
(5-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-2,4(...)
Show SMILES O=c1[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C23H25N3O2/c27-22-20(16-18-9-5-2-6-10-18)21(24-23(28)25-22)26-13-11-19(12-14-26)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H2,24,25,27,28)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
150n/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