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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50124612'   
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))
BDBM50124612
PNG
(5-Allyl-9-chloro-10-methoxy-2,2,4-trimethyl-2,5-di...)
Show SMILES COc1c(Cl)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
Show InChI InChI=1S/C23H24ClNO2/c1-6-7-17-20-14(21-18(27-17)11-9-15(24)22(21)26-5)8-10-16-19(20)13(2)12-23(3,4)25-16/h6,8-12,17,25H,1,7H2,2-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.40n/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))
BDBM50124612
PNG
(5-Allyl-9-chloro-10-methoxy-2,2,4-trimethyl-2,5-di...)
Show SMILES COc1c(Cl)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
Show InChI InChI=1S/C23H24ClNO2/c1-6-7-17-20-14(21-18(27-17)11-9-15(24)22(21)26-5)8-10-16-19(20)13(2)12-23(3,4)25-16/h6,8-12,17,25H,1,7H2,2-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 94n/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