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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50203420'   
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))
BDBM50203420
PNG
(CHEMBL3976935)
Show SMILES CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C26H26FN3O3S2/c1-17(29-35(31,32)24-12-13-24)26(18-3-10-23(34-2)11-4-18)33-22-9-14-25-19(15-22)16-28-30(25)21-7-5-20(27)6-8-21/h3-11,14-17,24,26,29H,12-13H2,1-2H3/t17-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.75n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50203420
PNG
(CHEMBL3976935)
Show SMILES CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C26H26FN3O3S2/c1-17(29-35(31,32)24-12-13-24)26(18-3-10-23(34-2)11-4-18)33-22-9-14-25-19(15-22)16-28-30(25)21-7-5-20(27)6-8-21/h3-11,14-17,24,26,29H,12-13H2,1-2H3/t17-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to GR (unknown origin) by FP assay


Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair