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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50219260'   
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))
BDBM50219260
PNG
(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in L929 cells by HRE-tk luciferase assay


Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50219260
PNG
(5-(3-cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimida...)
Show SMILES Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H18N4S/c1-21-14(11-19)7-9-16(21)12-6-8-15-17(10-12)22(18(23)20-15)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor expressed in L929 cells by HRE-tk luciferase assay


Bioorg Med Chem 15: 6556-64 (2007)


Article DOI: 10.1016/j.bmc.2007.07.011
BindingDB Entry DOI: 10.7270/Q2CV4HGN
More data for this
Ligand-Target Pair