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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50216485'   
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))
BDBM50216485
PNG
(5-benzyl-6-(4-(3-chlorophenyl)piperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-7-17(14-18)16-9-11-26(12-10-16)20-19(21(27)25-22(28)24-20)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(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
4.90n/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))
BDBM50216485
PNG
(5-benzyl-6-(4-(3-chlorophenyl)piperidin-1-yl)pyrim...)
Show SMILES Clc1cccc(c1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-18-8-4-7-17(14-18)16-9-11-26(12-10-16)20-19(21(27)25-22(28)24-20)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(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
97n/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