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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402492'   
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))
BDBM50402492
PNG
(CHEMBL2204049)
Show SMILES Clc1cccc(Cl)c1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(11.66,-4.6,;10.33,-3.82,;10.33,-2.28,;8.99,-1.49,;7.64,-2.25,;7.64,-3.79,;6.3,-3.02,;8.97,-4.57,;8.97,-6.14,;7.64,-6.92,;7.64,-8.47,;6.3,-9.24,;4.96,-8.47,;3.61,-9.27,;4.96,-6.93,;6.31,-6.15,;6.31,-4.61,;8.95,-9.25,;8.95,-10.79,;10.26,-11.56,;11.6,-10.8,;11.6,-9.26,;10.28,-8.48,;12.93,-11.58,;14.26,-10.82,;15.58,-11.59,;15.58,-13.14,;14.24,-13.9,;12.93,-13.12,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-7-4-8-20(25)17(19)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
11n/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))
BDBM50402492
PNG
(CHEMBL2204049)
Show SMILES Clc1cccc(Cl)c1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(11.66,-4.6,;10.33,-3.82,;10.33,-2.28,;8.99,-1.49,;7.64,-2.25,;7.64,-3.79,;6.3,-3.02,;8.97,-4.57,;8.97,-6.14,;7.64,-6.92,;7.64,-8.47,;6.3,-9.24,;4.96,-8.47,;3.61,-9.27,;4.96,-6.93,;6.31,-6.15,;6.31,-4.61,;8.95,-9.25,;8.95,-10.79,;10.26,-11.56,;11.6,-10.8,;11.6,-9.26,;10.28,-8.48,;12.93,-11.58,;14.26,-10.82,;15.58,-11.59,;15.58,-13.14,;14.24,-13.9,;12.93,-13.12,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-19-7-4-8-20(25)17(19)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
67n/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