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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402501'   
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))
BDBM50402501
PNG
(CHEMBL2204040)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(55.79,-2.75,;54.45,-3.51,;53.11,-2.73,;51.76,-3.49,;51.76,-5.03,;53.09,-5.81,;53.09,-7.38,;51.76,-8.16,;51.76,-9.71,;50.42,-10.48,;49.09,-9.71,;47.74,-10.51,;49.09,-8.17,;50.44,-7.39,;50.44,-5.85,;53.08,-10.49,;53.08,-12.03,;54.39,-12.8,;55.73,-12.04,;55.73,-10.5,;54.4,-9.72,;57.05,-12.82,;58.38,-12.06,;59.7,-12.83,;59.7,-14.38,;58.36,-15.14,;57.05,-14.36,;54.45,-5.06,)|
Show InChI InChI=1S/C24H26N2O2/c1-16-6-5-7-17(14-16)15-21-22(25-24(28)26-23(21)27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-9,14,19-20H,10-13,15H2,1H3,(H2,25,26,27,28)/t19-,20+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3n/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))
BDBM50402501
PNG
(CHEMBL2204040)
Show SMILES Cc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(55.79,-2.75,;54.45,-3.51,;53.11,-2.73,;51.76,-3.49,;51.76,-5.03,;53.09,-5.81,;53.09,-7.38,;51.76,-8.16,;51.76,-9.71,;50.42,-10.48,;49.09,-9.71,;47.74,-10.51,;49.09,-8.17,;50.44,-7.39,;50.44,-5.85,;53.08,-10.49,;53.08,-12.03,;54.39,-12.8,;55.73,-12.04,;55.73,-10.5,;54.4,-9.72,;57.05,-12.82,;58.38,-12.06,;59.7,-12.83,;59.7,-14.38,;58.36,-15.14,;57.05,-14.36,;54.45,-5.06,)|
Show InChI InChI=1S/C24H26N2O2/c1-16-6-5-7-17(14-16)15-21-22(25-24(28)26-23(21)27)20-12-10-19(11-13-20)18-8-3-2-4-9-18/h2-9,14,19-20H,10-13,15H2,1H3,(H2,25,26,27,28)/t19-,20+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
21n/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