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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM19204'   
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))
BDBM19204
PNG
(2-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)C(C)(C)O |r,t:5|
Show InChI InChI=1S/C21H25FN2O/c1-20(2,25)19-6-4-5-15-11-18-14(12-21(15,19)3)13-23-24(18)17-9-7-16(22)8-10-17/h7-11,13,19,25H,4-6,12H2,1-3H3/t19-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.90n/a 3n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19204
PNG
(2-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)C(C)(C)O |r,t:5|
Show InChI InChI=1S/C21H25FN2O/c1-20(2,25)19-6-4-5-15-11-18-14(12-21(15,19)3)13-23-24(18)17-9-7-16(22)8-10-17/h7-11,13,19,25H,4-6,12H2,1-3H3/t19-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM19204
PNG
(2-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH...)
Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)C(C)(C)O |r,t:5|
Show InChI InChI=1S/C21H25FN2O/c1-20(2,25)19-6-4-5-15-11-18-14(12-21(15,19)3)13-23-24(18)17-9-7-16(22)8-10-17/h7-11,13,19,25H,4-6,12H2,1-3H3/t19-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 63n/an/an/an/a


TBA

Assay Description
Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00379
BindingDB Entry DOI: 10.7270/Q2VM4H3N
More data for this
Ligand-Target Pair