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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50250127'   
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))
BDBM50250127
PNG
(CHEMBL4096557)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H31F2N5O4/c1-19(36-30(41)31(2,32)33)27(20-8-4-3-5-9-20)42-24-13-14-25-22(17-24)18-35-38(25)23-11-6-10-21(16-23)29(40)37-15-7-12-26(37)28(34)39/h3-6,8-11,13-14,16-19,26-27H,7,12,15H2,1-2H3,(H2,34,39)(H,36,41)/t19-,26+,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...


J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50250127
PNG
(CHEMBL4096557)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H31F2N5O4/c1-19(36-30(41)31(2,32)33)27(20-8-4-3-5-9-20)42-24-13-14-25-22(17-24)18-35-38(25)23-11-6-10-21(16-23)29(40)37-15-7-12-26(37)28(34)39/h3-6,8-11,13-14,16-19,26-27H,7,12,15H2,1-2H3,(H2,34,39)(H,36,41)/t19-,26+,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...


J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair