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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50124602'   
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))
BDBM50124602
PNG
((5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES COc1c(OCC#N)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C25H26N2O3/c1-6-7-18-22-16(8-9-17-21(22)15(2)14-25(3,4)27-17)23-19(30-18)10-11-20(24(23)28-5)29-13-12-26/h6,8-11,14,18,27H,1,7,13H2,2-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124602
PNG
((5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H...)
Show SMILES COc1c(OCC#N)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C25H26N2O3/c1-6-7-18-22-16(8-9-17-21(22)15(2)14-25(3,4)27-17)23-19(30-18)10-11-20(24(23)28-5)29-13-12-26/h6,8-11,14,18,27H,1,7,13H2,2-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair