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BDBM50402495 CHEMBL2204046

SMILES: Clc1ccc(Cl)c(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1

InChI Key: InChIKey=KFZYMBGEXOMVGX-IYBDPMFKSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50402495   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50402495
PNG
(CHEMBL2204046)
Show SMILES Clc1ccc(Cl)c(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:16.16,19.23,(23.01,-44.53,;24.34,-45.3,;25.69,-44.54,;27.03,-45.33,;27.03,-46.87,;28.36,-47.65,;25.67,-47.63,;25.67,-49.19,;24.34,-49.97,;24.34,-51.52,;23,-52.29,;21.67,-51.53,;20.31,-52.32,;21.67,-49.98,;23.01,-49.21,;23.01,-47.67,;25.66,-52.3,;25.66,-53.84,;26.96,-54.61,;28.3,-53.85,;28.3,-52.31,;26.98,-51.53,;29.63,-54.63,;30.96,-53.87,;32.28,-54.64,;32.28,-56.19,;30.94,-56.95,;29.63,-56.17,;24.34,-46.84,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-18-10-11-20(25)17(12-18)13-19-21(26-23(29)27-22(19)28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10-12,15-16H,6-9,13H2,(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
8n/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))
BDBM50402495
PNG
(CHEMBL2204046)
Show SMILES Clc1ccc(Cl)c(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:16.16,19.23,(23.01,-44.53,;24.34,-45.3,;25.69,-44.54,;27.03,-45.33,;27.03,-46.87,;28.36,-47.65,;25.67,-47.63,;25.67,-49.19,;24.34,-49.97,;24.34,-51.52,;23,-52.29,;21.67,-51.53,;20.31,-52.32,;21.67,-49.98,;23.01,-49.21,;23.01,-47.67,;25.66,-52.3,;25.66,-53.84,;26.96,-54.61,;28.3,-53.85,;28.3,-52.31,;26.98,-51.53,;29.63,-54.63,;30.96,-53.87,;32.28,-54.64,;32.28,-56.19,;30.94,-56.95,;29.63,-56.17,;24.34,-46.84,)|
Show InChI InChI=1S/C23H22Cl2N2O2/c24-18-10-11-20(25)17(12-18)13-19-21(26-23(29)27-22(19)28)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-5,10-12,15-16H,6-9,13H2,(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
23n/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