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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50144179'   
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))
BDBM50144179
PNG
(CHEMBL65469 | N-(1-Methoxy-6-phenyl-6H-benzo[c]chr...)
Show SMILES COc1cccc2OC(c3ccccc3)c3cc(NS(=O)(=O)c4ccccc4)ccc3-c12
Show InChI InChI=1S/C26H21NO4S/c1-30-23-13-8-14-24-25(23)21-16-15-19(27-32(28,29)20-11-6-3-7-12-20)17-22(21)26(31-24)18-9-4-2-5-10-18/h2-17,26-27H,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144179
PNG
(CHEMBL65469 | N-(1-Methoxy-6-phenyl-6H-benzo[c]chr...)
Show SMILES COc1cccc2OC(c3ccccc3)c3cc(NS(=O)(=O)c4ccccc4)ccc3-c12
Show InChI InChI=1S/C26H21NO4S/c1-30-23-13-8-14-24-25(23)21-16-15-19(27-32(28,29)20-11-6-3-7-12-20)17-22(21)26(31-24)18-9-4-2-5-10-18/h2-17,26-27H,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 146n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 61-63 nM


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair