new BindingDB logo
myBDB logout

BDBM50372945 CHEMBL404183

SMILES: COCCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=BIEOWMRLZMSLDE-WJOKGBTCSA-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 = 50372945   
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))
BDBM50372945
PNG
(CHEMBL404183)
Show SMILES COCCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:13|
Show InChI InChI=1S/C31H38FN3O4S/c1-30(2,3)24-6-12-28(13-7-24)40(36,37)34-15-14-25-18-29-23(19-31(25,21-34)22-39-17-5-16-38-4)20-33-35(29)27-10-8-26(32)9-11-27/h6-13,18,20H,5,14-17,19,21-22H2,1-4H3/t31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/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))
BDBM50372945
PNG
(CHEMBL404183)
Show SMILES COCCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:13|
Show InChI InChI=1S/C31H38FN3O4S/c1-30(2,3)24-6-12-28(13-7-24)40(36,37)34-15-14-25-18-29-23(19-31(25,21-34)22-39-17-5-16-38-4)20-33-35(29)27-10-8-26(32)9-11-27/h6-13,18,20H,5,14-17,19,21-22H2,1-4H3/t31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/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