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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50107359'   
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))
BDBM50107359
PNG
(5-Butyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CCCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C24H29NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h8,10-14,20,25H,6-7,9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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PubMed
3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107359
PNG
(5-Butyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CCCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C24H29NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h8,10-14,20,25H,6-7,9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/an/an/a 122n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in HepG2 cells transfected with LUC gene (E-sel-Luc).


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107359
PNG
(5-Butyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CCCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
Show InChI InChI=1S/C24H29NO2/c1-6-7-9-20-23-16(22-18(26-5)10-8-11-19(22)27-20)12-13-17-21(23)15(2)14-24(3,4)25-17/h8,10-14,20,25H,6-7,9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/an/an/a 405n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The effective concentration in CV-1 cells for glucocorticoid response element activation (GRE).


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair