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BDBM50372960 CHEMBL272788

SMILES: Fc1ccc(CC23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=KTLGORSTIUFUOG-UHFFFAOYSA-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 = 50372960   
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))
BDBM50372960
PNG
(CHEMBL272788)
Show SMILES Fc1ccc(CC23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 |w:6.5,c:12|
Show InChI InChI=1S/C29H24F3N3O2S/c30-23-3-1-20(2-4-23)16-29-17-21-18-33-35(26-9-5-24(31)6-10-26)28(21)15-22(29)13-14-34(19-29)38(36,37)27-11-7-25(32)8-12-27/h1-12,15,18H,13-14,16-17,19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/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))
BDBM50372960
PNG
(CHEMBL272788)
Show SMILES Fc1ccc(CC23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 |w:6.5,c:12|
Show InChI InChI=1S/C29H24F3N3O2S/c30-23-3-1-20(2-4-23)16-29-17-21-18-33-35(26-9-5-24(31)6-10-26)28(21)15-22(29)13-14-34(19-29)38(36,37)27-11-7-25(32)8-12-27/h1-12,15,18H,13-14,16-17,19H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
26n/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