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BDBM50372938 CHEMBL429913

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CN2CCCC2)C1)cnn3-c1ccc(F)cc1

InChI Key: InChIKey=DJIPAQKYTMAKDS-HKBQPEDESA-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 = 50372938   
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))
BDBM50372938
PNG
(CHEMBL429913)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CN2CCCC2)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C31H37FN4O2S/c1-30(2,3)24-6-12-28(13-7-24)39(37,38)35-17-14-25-18-29-23(19-31(25,22-35)21-34-15-4-5-16-34)20-33-36(29)27-10-8-26(32)9-11-27/h6-13,18,20H,4-5,14-17,19,21-22H2,1-3H3/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372938
PNG
(CHEMBL429913)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CN2CCCC2)C1)cnn3-c1ccc(F)cc1 |t:17|
Show InChI InChI=1S/C31H37FN4O2S/c1-30(2,3)24-6-12-28(13-7-24)39(37,38)35-17-14-25-18-29-23(19-31(25,22-35)21-34-15-4-5-16-34)20-33-36(29)27-10-8-26(32)9-11-27/h6-13,18,20H,4-5,14-17,19,21-22H2,1-3H3/t31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair