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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402480'   
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))
BDBM50402480
PNG
(CHEMBL2204061)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)n(C)c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:16.16,19.23,(29.26,-4.19,;27.93,-4.95,;26.58,-4.17,;25.24,-4.93,;25.24,-6.47,;26.57,-7.25,;26.57,-8.81,;25.23,-9.6,;25.23,-11.15,;23.89,-11.92,;22.56,-11.15,;21.21,-11.94,;22.56,-9.61,;21.23,-8.83,;23.91,-8.83,;23.91,-7.29,;26.55,-11.92,;26.55,-13.46,;27.86,-14.24,;29.2,-13.48,;29.2,-11.94,;27.87,-11.15,;30.53,-14.26,;31.85,-13.49,;33.18,-14.27,;33.18,-15.81,;31.84,-16.57,;30.53,-15.8,;27.93,-6.5,)|
Show InChI InChI=1S/C25H28N2O2/c1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29)/t20-,21+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402480
PNG
(CHEMBL2204061)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)n(C)c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:16.16,19.23,(29.26,-4.19,;27.93,-4.95,;26.58,-4.17,;25.24,-4.93,;25.24,-6.47,;26.57,-7.25,;26.57,-8.81,;25.23,-9.6,;25.23,-11.15,;23.89,-11.92,;22.56,-11.15,;21.21,-11.94,;22.56,-9.61,;21.23,-8.83,;23.91,-8.83,;23.91,-7.29,;26.55,-11.92,;26.55,-13.46,;27.86,-14.24,;29.2,-13.48,;29.2,-11.94,;27.87,-11.15,;30.53,-14.26,;31.85,-13.49,;33.18,-14.27,;33.18,-15.81,;31.84,-16.57,;30.53,-15.8,;27.93,-6.5,)|
Show InChI InChI=1S/C25H28N2O2/c1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29)/t20-,21+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h...


Bioorg Med Chem Lett 22: 7376-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.074
BindingDB Entry DOI: 10.7270/Q26111GW
More data for this
Ligand-Target Pair