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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402494'   
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))
BDBM50402494
PNG
(CHEMBL2204047)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1Cl |r,wU:15.15,18.22,(47.9,-44.62,;46.57,-45.39,;45.23,-44.61,;43.88,-45.36,;43.88,-46.9,;45.21,-47.69,;45.21,-49.25,;43.88,-50.03,;43.88,-51.59,;42.53,-52.35,;41.2,-51.59,;39.85,-52.38,;41.2,-50.04,;42.55,-49.27,;42.55,-47.73,;45.19,-52.36,;45.19,-53.9,;46.5,-54.67,;47.84,-53.91,;47.84,-52.37,;46.52,-51.59,;49.17,-54.69,;50.5,-53.93,;51.82,-54.7,;51.82,-56.25,;50.48,-57.01,;49.17,-56.23,;46.57,-46.93,;47.9,-47.71,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-8-4-7-17(20(19)25)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,26,27,28,29)/t15-,16+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5n/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))
BDBM50402494
PNG
(CHEMBL2204047)
Show SMILES Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1Cl |r,wU:15.15,18.22,(47.9,-44.62,;46.57,-45.39,;45.23,-44.61,;43.88,-45.36,;43.88,-46.9,;45.21,-47.69,;45.21,-49.25,;43.88,-50.03,;43.88,-51.59,;42.53,-52.35,;41.2,-51.59,;39.85,-52.38,;41.2,-50.04,;42.55,-49.27,;42.55,-47.73,;45.19,-52.36,;45.19,-53.9,;46.5,-54.67,;47.84,-53.91,;47.84,-52.37,;46.52,-51.59,;49.17,-54.69,;50.5,-53.93,;51.82,-54.7,;51.82,-56.25,;50.48,-57.01,;49.17,-56.23,;46.57,-46.93,;47.9,-47.71,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-8-4-7-17(20(19)25)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,26,27,28,29)/t15-,16+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
25n/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