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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50265806'   
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))
BDBM50265806
PNG
(CHEMBL4074627)
Show SMILES CCc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(c1)C#N |r,c:17|
Show InChI InChI=1S/C31H26FN5O3S/c1-2-21-10-12-34-28(15-21)30(38)31-17-23-19-35-37(26-8-6-25(32)7-9-26)29(23)16-24(31)11-13-36(20-31)41(39,40)27-5-3-4-22(14-27)18-33/h3-10,12,14-16,19H,2,11,13,17,20H2,1H3/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.190n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50265806
PNG
(CHEMBL4074627)
Show SMILES CCc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(c1)C#N |r,c:17|
Show InChI InChI=1S/C31H26FN5O3S/c1-2-21-10-12-34-28(15-21)30(38)31-17-23-19-35-37(26-8-6-25(32)7-9-26)29(23)16-24(31)11-13-36(20-31)41(39,40)27-5-3-4-22(14-27)18-33/h3-10,12,14-16,19H,2,11,13,17,20H2,1H3/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of dexamethasone-induced tyrosine amino transferase activi...


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair